10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane

C289H203B3N18O5 — CID 159177100

IUPAC10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.Cc1c(C)c(N2c3ccccc3Oc3ccccc32)c(C)c(C)c1B1c2ccccc2Oc2ccccc21.Cc1cc(C)c(B(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)cc3c3ncccc32)c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)c1.c1ccc2c(c1)Oc1ccccc1B2c1ccc(N2c3ccccc3Oc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C41H22N8.C41H23N7.C38H30.C36H34BNO.C35H24.C34H28BNO2.C34H22.C30H20BNO2/c1-43-26-19-25(24-42)20-29(21-26)49-35-15-13-28(23-32(35)41-38(49)11-6-18-46-41)48-34-14-12-27(22-31(34)40-37(48)10-5-17-45-40)47-33-8-3-2-7-30(33)39-36(47)9-4-16-44-39;1-43-28-20-26(25-42)21-30(23-28)48-37-16-14-29(24-34(37)41-39(48)12-7-19-46-41)47-36-15-13-27(22-33(36)40-38(47)11-6-18-45-40)31-8-2-3-9-32(31)35-10-4-5-17-44-35;1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-23-19-25(3)35(26(4)20-23)37(36-27(5)21-24(2)22-28(36)6)29-15-17-30(18-16-29)38-31-11-7-9-13-33(31)39-34-14-10-8-12-32(34)38;1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28;1-21-23(3)34(36-27-15-7-11-19-31(27)38-32-20-12-8-16-28(32)36)24(4)22(2)33(21)35-25-13-5-9-17-29(25)37-30-18-10-6-14-26(30)35;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32/h2-23H;2-24H;4-24H,1-3H3;7-22H,1-6H3;2-22H,1H3;5-20H,1-4H3;1-22H;1-20H
InChIKeyKMKNUBNALBSBQM-UHFFFAOYSA-N
MW4040.36 g/mol
LogP70.54
Rot. Bonds21

About 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane

10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane (PubChem CID 159177100) has the molecular formula C289H203B3N18O5 and a molecular weight of 4040.36 g/mol. Its IUPAC name is 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

Compound Name10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane
PubChem CID159177100
Molecular FormulaC289H203B3N18O5
Molecular Weight4040.36 g/mol
Exact Mass4037.65
IUPAC Name10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.Cc1c(C)c(N2c3ccccc3Oc3ccccc32)c(C)c(C)c1B1c2ccccc2Oc2ccccc21.Cc1cc(C)c(B(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)cc3c3ncccc32)c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)c1.c1ccc2c(c1)Oc1ccccc1B2c1ccc(N2c3ccccc3Oc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C41H22N8.C41H23N7.C38H30.C36H34BNO.C35H24.C34H28BNO2.C34H22.C30H20BNO2/c1-43-26-19-25(24-42)20-29(21-26)49-35-15-13-28(23-32(35)41-38(49)11-6-18-46-41)48-34-14-12-27(22-31(34)40-37(48)10-5-17-45-40)47-33-8-3-2-7-30(33)39-36(47)9-4-16-44-39;1-43-28-20-26(25-42)21-30(23-28)48-37-16-14-29(24-34(37)41-39(48)12-7-19-46-41)47-36-15-13-27(22-33(36)40-38(47)11-6-18-45-40)31-8-2-3-9-32(31)35-10-4-5-17-44-35;1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-23-19-25(3)35(26(4)20-23)37(36-27(5)21-24(2)22-28(36)6)29-15-17-30(18-16-29)38-31-11-7-9-13-33(31)39-34-14-10-8-12-32(34)38;1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28;1-21-23(3)34(36-27-15-7-11-19-31(27)38-32-20-12-8-16-28(32)36)24(4)22(2)33(21)35-25-13-5-9-17-29(25)37-30-18-10-6-14-26(30)35;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32/h2-23H;2-24H;4-24H,1-3H3;7-22H,1-6H3;2-22H,1H3;5-20H,1-4H3;1-22H;1-20H
InChIKeyKMKNUBNALBSBQM-UHFFFAOYSA-N
XLogP70.54
TPSA214.16 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms315
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004040.36
LogP ≤ 570.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane with MolForge

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Related Compounds

9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
9-[2-[2-Carbazol-9-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;3-[4-[5-cyano-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-4-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;3-[4-[5-cyano-2-(9,9-dimethylacridin-10-yl)phenyl]-2,5-dimethylphenyl]-4-(9,9-dimethylacridin-10-yl)benzonitrile;3-[4-(5-cyano-2-phenoxazin-10-ylphenyl)-2,5-dimethylphenyl]-4-phenoxazin-10-ylbenzonitrile;3,6-ditert-butyl-9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 157743145
10-[2,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-4-phenoxazin-10-ylphenyl]phenoxazine;9-[4-carbazol-9-yl-2,3-di(pyrimidin-2-yl)phenyl]carbazole;5-[3,6-di(carbazol-9-yl)-2-(3-cyano-5-isocyanophenyl)phenyl]benzene-1,3-dicarbonitrile;4-[3,6-di(carbazol-9-yl)-2-(4-isocyanophenyl)phenyl]benzonitrile
CID 158341768
CID 158361711
CID 158361711
3-[3-[3,5-Bis[3-(1-phenylindol-3-yl)phenyl]phenyl]phenyl]-1-phenylindole;5-fluoro-3-[2-(5-fluoro-1-phenylindol-3-yl)propan-2-yl]-1-phenylindole;1-(4-fluorophenyl)-3-[2-[1-(4-fluorophenyl)indol-3-yl]propan-2-yl]indole;4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile;1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole;3-[3-methyl-4-[2-methyl-4-(1-phenylindol-3-yl)phenyl]phenyl]-1-phenylindole;2-(1-phenylindol-3-yl)-9-[3-[9-(1-phenylindol-3-yl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;1-phenyl-3-[2-[1-phenyl-5-(trifluoromethyl)indol-3-yl]propan-2-yl]-5-(trifluoromethyl)indole;trimethyl-[1-phenyl-3-[2-(1-phenyl-5-trimethylsilylindol-3-yl)propan-2-yl]indol-5-yl]silane
CID 158761963
9-[3,5-Di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tripyridin-2-ylphenyl]phenoxazine;10-[3,5-di(phenoxazin-10-yl)-2,4,6-tri(pyrimidin-2-yl)phenyl]phenoxazine;4-[2,4,6-tri(carbazol-9-yl)-3-(3,5-dicyanophenyl)-5-(3,5-diisocyanophenyl)phenyl]pyridine-2,6-dicarbonitrile
CID 162163987
2,6-Di(carbazol-9-yl)-4-phenoxazin-10-ylbenzonitrile
CID 168340288
5-[2-Cyano-3,5-bis(6-cyano-3-pyridinyl)-4,6-bis(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile
CID 118050278
5-[2-Amino-6-cyano-3,5-bis(6-cyano-3-pyridinyl)-4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]pyridine-2-carbonitrile
CID 118058931
3,7-Di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]phenanthro[9,10-b]pyrazin-10-yl]phenoxazine
CID 118912196
6-phenoxazin-10-yl-N,N-diphenyl-9-[11-(2-pyridin-3-yl-4-pyridinyl)phenanthro[9,10-b]pyrazin-6-yl]carbazol-3-amine
CID 118912209
2,4,6-Tris(4-cyanophenyl)-3,5-bis[3,6-di(phenoxazin-10-yl)carbazol-9-yl]benzonitrile
CID 122522935

Frequently Asked Questions

What is the IUPAC name of 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane?
The IUPAC name of 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane (CID 159177100) is 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane.
What is the SMILES notation for 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane?
The canonical SMILES for 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane is CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.Cc1c(C)c(N2c3ccccc3Oc3ccccc32)c(C)c(C)c1B1c2ccccc2Oc2ccccc21.Cc1cc(C)c(B(c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c2c(C)cc(C)cc2C)c(C)c1.Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-n4c5ccc(-c6ccccc6-c6ccccn6)cc5c5ncccc54)cc3c3ncccc32)c1.[C-]#[N+]c1cc(C#N)cc(-n2c3ccc(-n4c5ccc(-n6c7ccccc7c7ncccc76)cc5c5ncccc54)cc3c3ncccc32)c1.c1ccc2c(c1)Oc1ccccc1B2c1ccc(N2c3ccccc3Oc3ccccc32)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane?
The InChIKey is KMKNUBNALBSBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H22N8.C41H23N7.C38H30.C36H34BNO.C35H24.C34H28BNO2.C34H22.C30H20BNO2/c1-43-26-19-25(24-42)20-29(21-26)49-35-15-13-28(23-32(35)41-38(49)11-6-18-46-41)48-34-14-12-27(22-31(34)40-37(48)10-5-17-45-40)47-33-8-3-2-7-30(33)39-36(47)9-4-16-44-39;1-43-28-20-26(25-42)21-30(23-28)48-37-16-14-29(24-34(37)41-39(48)12-7-19-46-41)47-36-15-13-27(22-33(36)40-38(47)11-6-18-45-40)31-8-2-3-9-32(31)35-10-4-5-17-44-35;1-38(2,3)31-20-21-34-35(24-31)37(30-19-17-26-11-5-7-13-28(26)23-30)33-15-9-8-14-32(33)36(34)29-18-16-25-10-4-6-12-27(25)22-29;1-23-19-25(3)35(26(4)20-23)37(36-27(5)21-24(2)22-28(36)6)29-15-17-30(18-16-29)38-31-11-7-9-13-33(31)39-34-14-10-8-12-32(34)38;1-23-14-19-32-33(20-23)35(29-18-16-25-9-3-5-11-27(25)22-29)31-13-7-6-12-30(31)34(32)28-17-15-24-8-2-4-10-26(24)21-28;1-21-23(3)34(36-27-15-7-11-19-31(27)38-32-20-12-8-16-28(32)36)24(4)22(2)33(21)35-25-13-5-9-17-29(25)37-30-18-10-6-14-26(30)35;1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28;1-5-13-27-23(9-1)31(24-10-2-6-14-28(24)33-27)21-17-19-22(20-18-21)32-25-11-3-7-15-29(25)34-30-16-8-4-12-26(30)32/h2-23H;2-24H;4-24H,1-3H3;7-22H,1-6H3;2-22H,1H3;5-20H,1-4H3;1-22H;1-20H.
What are the key properties of 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane?
10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 4040.36 g/mol, XLogP of 70.54, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenoxazine;10-(4-benzo[b][1,4]benzoxaborinin-10-yl-2,3,5,6-tetramethylphenyl)phenoxazine;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;3-isocyano-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indol-5-yl]benzonitrile;3-isocyano-5-[8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indol-5-yl]benzonitrile;2-methyl-9,10-dinaphthalen-2-ylanthracene;(4-phenoxazin-10-ylphenyl)-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 159177100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).