9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile

C161H119BN12O3S — CID 160691712

IUPAC9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESCC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C(C)C)c1.O=S(=O)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H29N5.C42H44BNO.C38H22N4.C36H24N2O2S/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50;1-26(2)29-23-31(27(3)4)41(32(24-29)28(5)6)43-35-17-11-14-20-39(35)45-40-25-30(21-22-36(40)43)44-37-18-12-9-15-33(37)42(7,8)34-16-10-13-19-38(34)44;1-40-28-9-7-11-30(23-28)42-36-15-5-3-13-32(36)34-22-27(17-19-38(34)42)26-16-18-37-33(21-26)31-12-2-4-14-35(31)41(37)29-10-6-8-25(20-29)24-39;39-41(40,27-21-17-25(18-22-27)37-33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-29H;9-28H,1-8H3;2-23H;1-24H
InChIKeyRPMIYXRQXGFRRZ-UHFFFAOYSA-N
MW2312.68 g/mol
LogP39.54
Rot. Bonds17

About 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile

9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile (PubChem CID 160691712) has the molecular formula C161H119BN12O3S and a molecular weight of 2312.68 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
PubChem CID160691712
Molecular FormulaC161H119BN12O3S
Molecular Weight2312.68 g/mol
Exact Mass2310.93
IUPAC Name9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESCC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C(C)C)c1.O=S(=O)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C45H29N5.C42H44BNO.C38H22N4.C36H24N2O2S/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50;1-26(2)29-23-31(27(3)4)41(32(24-29)28(5)6)43-35-17-11-14-20-39(35)45-40-25-30(21-22-36(40)43)44-37-18-12-9-15-33(37)42(7,8)34-16-10-13-19-38(34)44;1-40-28-9-7-11-30(23-28)42-36-15-5-3-13-32(36)34-22-27(17-19-38(34)42)26-16-18-37-33(21-26)31-12-2-4-14-35(31)41(37)29-10-6-8-25(20-29)24-39;39-41(40,27-21-17-25(18-22-27)37-33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-29H;9-28H,1-8H3;2-23H;1-24H
InChIKeyRPMIYXRQXGFRRZ-UHFFFAOYSA-N
XLogP39.54
TPSA143.01 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.68
LogP ≤ 539.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

5-[10-[4-[1-[10-[10-[4-[1-[9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazol-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]-9,9-dimethylacridin-3-yl]propan-2-yl]-2,6-di(propan-2-yl)phenyl]-3-(10-phenylphenazin-5-yl)benzo[b][1,4]benzoxaborinin-7-yl]-10-phenylphenazine
CID 163595332
3-(3-carbazol-9-ylphenyl)-9-[2-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-8-yl]carbazole
CID 140728738
10-[10-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-3-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)benzo[b][1,4]benzoxaborinin-7-yl]-2,7-dimethylspiro[acridine-9,9'-fluorene];10-[10-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-3-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)benzo[b][1,4]benzoxaborinin-7-yl]-2,7-dimethylspiro[acridine-9,9'-xanthene];3-(9-phenylcarbazol-3-yl)-9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 161363559
5-phenyl-11-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]indolo[3,2-b]carbazole
CID 169073479
9-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]carbazole
CID 140728726
3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;10-(4-quinoxalin-2-ylphenyl)phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-quinoxalin-2-ylphenyl)carbazole-3,6-diamine
CID 158764496
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-5-isocyanobenzonitrile
CID 166504120
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
3-carbazol-9-yl-9-[3-carbazol-9-yl-10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-7-yl]carbazole
CID 140728623
9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]phenyl]carbazole-3-carbonitrile
CID 170522027
10-[2,6-di(carbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine;9-[2,3-di(carbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzene-1,3-dicarbonitrile;2-[3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;3-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-5-isocyanobenzonitrile
CID 163423215

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile (CID 160691712) is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile is CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc32)c(C(C)C)c1.O=S(=O)(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(C#N)c4)ccc32)c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
The InChIKey is RPMIYXRQXGFRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5.C42H44BNO.C38H22N4.C36H24N2O2S/c1-3-15-30(16-4-1)43-46-44(31-17-5-2-6-18-31)48-45(47-43)32-27-33(49-39-23-11-7-19-35(39)36-20-8-12-24-40(36)49)29-34(28-32)50-41-25-13-9-21-37(41)38-22-10-14-26-42(38)50;1-26(2)29-23-31(27(3)4)41(32(24-29)28(5)6)43-35-17-11-14-20-39(35)45-40-25-30(21-22-36(40)43)44-37-18-12-9-15-33(37)42(7,8)34-16-10-13-19-38(34)44;1-40-28-9-7-11-30(23-28)42-36-15-5-3-13-32(36)34-22-27(17-19-38(34)42)26-16-18-37-33(21-26)31-12-2-4-14-35(31)41(37)29-10-6-8-25(20-29)24-39;39-41(40,27-21-17-25(18-22-27)37-33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-29H;9-28H,1-8H3;2-23H;1-24H.
What are the key properties of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile?
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile has a molecular weight of 2312.68 g/mol, XLogP of 39.54, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazole;9,9-dimethyl-10-[10-[2,4,6-tri(propan-2-yl)phenyl]benzo[b][1,4]benzoxaborinin-3-yl]acridine;3-[3-[9-(3-isocyanophenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 160691712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).