5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile

C296H202B2F12N14O3 — CID 159865534

IUPAC5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile
SMILESCc1cc(C)c2c(c1)Oc1cc(C)cc(C)c1B2c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)CC2(F)F.Cc1cccc(C)c1B(c1c(C)cccc1C)c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)CC2(F)F.[C-]#[N+]c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)C(C)(C)C2(F)F.[C-]#[N+]c1c(N2c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc32)c(N2c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc32)c(C#N)c2c1C(C)(C)CC2(C)C
InChIInChI=1S/C87H62N4O2.C74H50BF4N3O.C74H52BF4N3.C61H38F4N4/c1-86(2)55-87(3,4)82-81(86)72(54-88)84(90-73-46-42-60(68-38-22-18-34-64(68)56-26-10-6-11-27-56)50-77(73)92-78-51-61(43-47-74(78)90)69-39-23-19-35-65(69)57-28-12-7-13-29-57)85(83(82)89-5)91-75-48-44-62(70-40-24-20-36-66(70)58-30-14-8-15-31-58)52-79(75)93-80-53-63(45-49-76(80)91)71-41-25-21-37-67(71)59-32-16-9-17-33-59;1-43-33-45(3)68-64(35-43)83-65-36-44(2)34-46(4)69(65)75(68)70-67-66(73(76,77)42-74(67,78)79)59(41-80)71(81-60-29-25-51(47-17-9-5-10-18-47)37-55(60)56-38-52(26-30-61(56)81)48-19-11-6-12-20-48)72(70)82-62-31-27-53(49-21-13-7-14-22-49)39-57(62)58-40-54(28-32-63(58)82)50-23-15-8-16-24-50;1-45-19-17-20-46(2)68(45)75(69-47(3)21-18-22-48(69)4)70-67-66(73(76,77)44-74(67,78)79)61(43-80)71(81-62-35-31-53(49-23-9-5-10-24-49)39-57(62)58-40-54(32-36-63(58)81)50-25-11-6-12-26-50)72(70)82-64-37-33-55(51-27-13-7-14-28-51)41-59(64)60-42-56(34-38-65(60)82)52-29-15-8-16-30-52;1-59(2)60(62,63)54-49(36-66)57(68-50-28-24-41(37-16-8-4-9-17-37)32-45(50)46-33-42(25-29-51(46)68)38-18-10-5-11-19-38)58(56(67-3)55(54)61(59,64)65)69-52-30-26-43(39-20-12-6-13-21-39)34-47(52)48-35-44(27-31-53(48)69)40-22-14-7-15-23-40/h6-53H,55H2,1-4H3;5-40H,42H2,1-4H3;5-42H,44H2,1-4H3;4-35H,1-2H3
InChIKeyNRRLFYXUNOENKU-UHFFFAOYSA-N
MW4252.57 g/mol
LogP77.37
Rot. Bonds32

About 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile

5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile (PubChem CID 159865534) has the molecular formula C296H202B2F12N14O3 and a molecular weight of 4252.57 g/mol. Its IUPAC name is 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile.

Molecular Properties

Compound Name5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile
PubChem CID159865534
Molecular FormulaC296H202B2F12N14O3
Molecular Weight4252.57 g/mol
Exact Mass4249.61
IUPAC Name5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile
SMILESCc1cc(C)c2c(c1)Oc1cc(C)cc(C)c1B2c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)CC2(F)F.Cc1cccc(C)c1B(c1c(C)cccc1C)c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)CC2(F)F.[C-]#[N+]c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)C(C)(C)C2(F)F.[C-]#[N+]c1c(N2c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc32)c(N2c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc32)c(C#N)c2c1C(C)(C)CC2(C)C
InChIInChI=1S/C87H62N4O2.C74H50BF4N3O.C74H52BF4N3.C61H38F4N4/c1-86(2)55-87(3,4)82-81(86)72(54-88)84(90-73-46-42-60(68-38-22-18-34-64(68)56-26-10-6-11-27-56)50-77(73)92-78-51-61(43-47-74(78)90)69-39-23-19-35-65(69)57-28-12-7-13-29-57)85(83(82)89-5)91-75-48-44-62(70-40-24-20-36-66(70)58-30-14-8-15-31-58)52-79(75)93-80-53-63(45-49-76(80)91)71-41-25-21-37-67(71)59-32-16-9-17-33-59;1-43-33-45(3)68-64(35-43)83-65-36-44(2)34-46(4)69(65)75(68)70-67-66(73(76,77)42-74(67,78)79)59(41-80)71(81-60-29-25-51(47-17-9-5-10-18-47)37-55(60)56-38-52(26-30-61(56)81)48-19-11-6-12-20-48)72(70)82-62-31-27-53(49-21-13-7-14-22-49)39-57(62)58-40-54(28-32-63(58)82)50-23-15-8-16-24-50;1-45-19-17-20-46(2)68(45)75(69-47(3)21-18-22-48(69)4)70-67-66(73(76,77)44-74(67,78)79)61(43-80)71(81-62-35-31-53(49-23-9-5-10-24-49)39-57(62)58-40-54(32-36-63(58)81)50-25-11-6-12-26-50)72(70)82-64-37-33-55(51-27-13-7-14-28-51)41-59(64)60-42-56(34-38-65(60)82)52-29-15-8-16-30-52;1-59(2)60(62,63)54-49(36-66)57(68-50-28-24-41(37-16-8-4-9-17-37)32-45(50)46-33-42(25-29-51(46)68)38-18-10-5-11-19-38)58(56(67-3)55(54)61(59,64)65)69-52-30-26-43(39-20-12-6-13-21-39)34-47(52)48-35-44(27-31-53(48)69)40-22-14-7-15-23-40/h6-53H,55H2,1-4H3;5-40H,42H2,1-4H3;5-42H,44H2,1-4H3;4-35H,1-2H3
InChIKeyNRRLFYXUNOENKU-UHFFFAOYSA-N
XLogP77.37
TPSA167.63 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms327
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004252.57
LogP ≤ 577.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile with MolForge

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Related Compounds

5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile
CID 123578963
3,5-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-2,6-bis(2-phenoxazin-10-ylphenyl)-4-phenylbenzonitrile
CID 137368754
3,5-Bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
CID 137368766
4,5-Bis(10-phenylphenoxazin-3-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 137368820
3-Phenoxazin-10-yl-2,4,5,6-tetrakis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 137368979
3,4-Bis(10-phenylphenoxazin-2-yl)-5,6-bis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 137368990
3,5-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-phenoxazin-10-yl-2,6-diphenylbenzonitrile
CID 137369017
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
9-[2-[4-[2-Carbazol-9-yl-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]carbazole;3,6-ditert-butyl-9-[2-[4-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]carbazole;4-(9,9-dimethylacridin-10-yl)-3-[2-(9,9-dimethylacridin-10-yl)-5-(trifluoromethyl)phenyl]benzonitrile;3-methoxy-9-[2-[4-[2-(3-methoxy-6-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-4-(trifluoromethyl)phenyl]-6-methylcarbazole;10-[2-[2-phenoxazin-10-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]phenoxazine
CID 157851849
3-Carbazol-9-yl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;7,7-dimethyl-5-[2,4,6-tris(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;3-phenyl-9-[2,4,6-tris(trifluoromethyl)phenyl]carbazole;10-[2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
CID 158156961
7-bis(2,6-dimethylphenyl)boranyl-5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6-isocyano-2H-indene-4-carbonitrile;5-[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-6,7-diisocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;2,3-ditert-butyl-4,5-diisocyano-6-(4-phenyl-N-(4-phenylphenyl)anilino)benzonitrile;2-(9,9-dimethylacridin-10-yl)-3,4-diisocyano-5,6-di(propan-2-yl)benzonitrile;5-(9,9-dimethyl-2,7-diphenylacridin-10-yl)-6,7-diisocyano-1,1,2,2,3,3-hexamethylindene-4-carbonitrile;5-(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-6,7-diisocyano-2,2-dimethylindene-4-carbonitrile
CID 158328790
7-[4-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N,N-bis[3-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-(3-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[3-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 160574519

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile?
The IUPAC name of 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile (CID 159865534) is 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile.
What is the SMILES notation for 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile?
The canonical SMILES for 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile is Cc1cc(C)c2c(c1)Oc1cc(C)cc(C)c1B2c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)CC2(F)F.Cc1cccc(C)c1B(c1c(C)cccc1C)c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)CC2(F)F.[C-]#[N+]c1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(C#N)c2c1C(F)(F)C(C)(C)C2(F)F.[C-]#[N+]c1c(N2c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc32)c(N2c3ccc(-c4ccccc4-c4ccccc4)cc3Oc3cc(-c4ccccc4-c4ccccc4)ccc32)c(C#N)c2c1C(C)(C)CC2(C)C.
What is the InChIKey of 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile?
The InChIKey is NRRLFYXUNOENKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H62N4O2.C74H50BF4N3O.C74H52BF4N3.C61H38F4N4/c1-86(2)55-87(3,4)82-81(86)72(54-88)84(90-73-46-42-60(68-38-22-18-34-64(68)56-26-10-6-11-27-56)50-77(73)92-78-51-61(43-47-74(78)90)69-39-23-19-35-65(69)57-28-12-7-13-29-57)85(83(82)89-5)91-75-48-44-62(70-40-24-20-36-66(70)58-30-14-8-15-31-58)52-79(75)93-80-53-63(45-49-76(80)91)71-41-25-21-37-67(71)59-32-16-9-17-33-59;1-43-33-45(3)68-64(35-43)83-65-36-44(2)34-46(4)69(65)75(68)70-67-66(73(76,77)42-74(67,78)79)59(41-80)71(81-60-29-25-51(47-17-9-5-10-18-47)37-55(60)56-38-52(26-30-61(56)81)48-19-11-6-12-20-48)72(70)82-62-31-27-53(49-21-13-7-14-22-49)39-57(62)58-40-54(28-32-63(58)82)50-23-15-8-16-24-50;1-45-19-17-20-46(2)68(45)75(69-47(3)21-18-22-48(69)4)70-67-66(73(76,77)44-74(67,78)79)61(43-80)71(81-62-35-31-53(49-23-9-5-10-24-49)39-57(62)58-40-54(32-36-63(58)81)50-25-11-6-12-26-50)72(70)82-64-37-33-55(51-27-13-7-14-28-51)41-59(64)60-42-56(34-38-65(60)82)52-29-15-8-16-30-52;1-59(2)60(62,63)54-49(36-66)57(68-50-28-24-41(37-16-8-4-9-17-37)32-45(50)46-33-42(25-29-51(46)68)38-18-10-5-11-19-38)58(56(67-3)55(54)61(59,64)65)69-52-30-26-43(39-20-12-6-13-21-39)34-47(52)48-35-44(27-31-53(48)69)40-22-14-7-15-23-40/h6-53H,55H2,1-4H3;5-40H,42H2,1-4H3;5-42H,44H2,1-4H3;4-35H,1-2H3.
What are the key properties of 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile?
5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile has a molecular weight of 4252.57 g/mol, XLogP of 77.37, 32 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[3,7-bis(2-phenylphenyl)phenoxazin-10-yl]-7-isocyano-1,1,3,3-tetramethyl-2H-indene-4-carbonitrile;7-bis(2,6-dimethylphenyl)boranyl-5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-2H-indene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-isocyano-2,2-dimethylindene-4-carbonitrile;5,6-bis(3,6-diphenylcarbazol-9-yl)-1,1,3,3-tetrafluoro-7-(1,3,7,9-tetramethylbenzo[b][1,4]benzoxaborinin-10-yl)-2H-indene-4-carbonitrile is sourced from PubChem (CID 159865534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).