2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole

C167H112N4 — CID 159747210

IUPAC2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccccc6)cc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccc(C)cc76)c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C66H44N2.C59H39N.C42H29N/c1-41-16-20-43(21-17-41)48-28-34-63-59(38-48)55-12-6-8-14-61(55)67(63)51-36-50(54-31-25-47-26-32-57-53(45-10-4-3-5-11-45)30-24-46-27-33-58(54)66(47)65(46)57)37-52(40-51)68-62-15-9-7-13-56(62)60-39-49(29-35-64(60)68)44-22-18-42(2)19-23-44;1-38-17-19-42(20-18-38)50-27-21-43-24-30-53-51(28-22-44-23-29-52(50)58(43)59(44)53)48-33-47(41-15-9-4-10-16-41)34-49(35-48)60-56-31-25-45(39-11-5-2-6-12-39)36-54(56)55-37-46(26-32-57(55)60)40-13-7-3-8-14-40;1-26-10-13-28(14-11-26)33-20-15-29-18-23-38-34(21-16-30-17-22-37(33)41(29)42(30)38)31-6-5-7-32(25-31)43-39-9-4-3-8-35(39)36-19-12-27(2)24-40(36)43/h3-40H,1-2H3;2-37H,1H3;3-25H,1-2H3
InChIKeyNDEOUVIUIWYSAX-UHFFFAOYSA-N
MW2174.76 g/mol
LogP46.02
Rot. Bonds15

About 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole

2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole (PubChem CID 159747210) has the molecular formula C167H112N4 and a molecular weight of 2174.76 g/mol. Its IUPAC name is 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole
PubChem CID159747210
Molecular FormulaC167H112N4
Molecular Weight2174.76 g/mol
Exact Mass2172.89
IUPAC Name2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccccc6)cc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccc(C)cc76)c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C66H44N2.C59H39N.C42H29N/c1-41-16-20-43(21-17-41)48-28-34-63-59(38-48)55-12-6-8-14-61(55)67(63)51-36-50(54-31-25-47-26-32-57-53(45-10-4-3-5-11-45)30-24-46-27-33-58(54)66(47)65(46)57)37-52(40-51)68-62-15-9-7-13-56(62)60-39-49(29-35-64(60)68)44-22-18-42(2)19-23-44;1-38-17-19-42(20-18-38)50-27-21-43-24-30-53-51(28-22-44-23-29-52(50)58(43)59(44)53)48-33-47(41-15-9-4-10-16-41)34-49(35-48)60-56-31-25-45(39-11-5-2-6-12-39)36-54(56)55-37-46(26-32-57(55)60)40-13-7-3-8-14-40;1-26-10-13-28(14-11-26)33-20-15-29-18-23-38-34(21-16-30-17-22-37(33)41(29)42(30)38)31-6-5-7-32(25-31)43-39-9-4-3-8-35(39)36-19-12-27(2)24-40(36)43/h3-40H,1-2H3;2-37H,1H3;3-25H,1-2H3
InChIKeyNDEOUVIUIWYSAX-UHFFFAOYSA-N
XLogP46.02
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002174.76
LogP ≤ 546.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
CID 176780561
9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-(8-naphthalen-2-ylpyren-1-yl)phenyl]carbazole;9-[3-(6-phenylpyren-1-yl)phenyl]carbazole
CID 160792996
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 159224572
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 158200514
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenylcarbazole;3-[3-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159127106

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole?
The IUPAC name of 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole (CID 159747210) is 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc4ccc5c(-c6ccccc6)ccc6ccc3c4c65)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5)ccc43)c2)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cc(-c6ccccc6)cc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)ccc5ccc2c3c54)cc1.Cc1ccc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccc(C)cc76)c5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole?
The InChIKey is NDEOUVIUIWYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2.C59H39N.C42H29N/c1-41-16-20-43(21-17-41)48-28-34-63-59(38-48)55-12-6-8-14-61(55)67(63)51-36-50(54-31-25-47-26-32-57-53(45-10-4-3-5-11-45)30-24-46-27-33-58(54)66(47)65(46)57)37-52(40-51)68-62-15-9-7-13-56(62)60-39-49(29-35-64(60)68)44-22-18-42(2)19-23-44;1-38-17-19-42(20-18-38)50-27-21-43-24-30-53-51(28-22-44-23-29-52(50)58(43)59(44)53)48-33-47(41-15-9-4-10-16-41)34-49(35-48)60-56-31-25-45(39-11-5-2-6-12-39)36-54(56)55-37-46(26-32-57(55)60)40-13-7-3-8-14-40;1-26-10-13-28(14-11-26)33-20-15-29-18-23-38-34(21-16-30-17-22-37(33)41(29)42(30)38)31-6-5-7-32(25-31)43-39-9-4-3-8-35(39)36-19-12-27(2)24-40(36)43/h3-40H,1-2H3;2-37H,1H3;3-25H,1-2H3.
What are the key properties of 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole?
2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole has a molecular weight of 2174.76 g/mol, XLogP of 46.02, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]carbazole;3-(4-methylphenyl)-9-[3-[3-(4-methylphenyl)carbazol-9-yl]-5-(6-phenylpyren-1-yl)phenyl]carbazole;9-[3-[6-(4-methylphenyl)pyren-1-yl]-5-phenylphenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 159747210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).