9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole

C62H40N4 — CID 59489317

IUPAC9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H40N4/c1-4-14-41(15-5-1)42-24-26-43(27-25-42)46-30-35-59-53(38-46)54-40-48(32-37-60(54)65(59)49-18-8-3-9-19-49)47-31-36-58-52(39-47)51-20-10-13-23-57(51)66(58)50-33-28-45(29-34-50)62-61(44-16-6-2-7-17-44)63-55-21-11-12-22-56(55)64-62/h1-40H
InChIKeyATWTVIHYVNNVRJ-UHFFFAOYSA-N
MW841.03 g/mol
LogP16.16
Rot. Bonds7

About 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole

9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 59489317) has the molecular formula C62H40N4 and a molecular weight of 841.03 g/mol. Its IUPAC name is 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID59489317
Molecular FormulaC62H40N4
Molecular Weight841.03 g/mol
Exact Mass840.33
IUPAC Name9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H40N4/c1-4-14-41(15-5-1)42-24-26-43(27-25-42)46-30-35-59-53(38-46)54-40-48(32-37-60(54)65(59)49-18-8-3-9-19-49)47-31-36-58-52(39-47)51-20-10-13-23-57(51)66(58)50-33-28-45(29-34-50)62-61(44-16-6-2-7-17-44)63-55-21-11-12-22-56(55)64-62/h1-40H
InChIKeyATWTVIHYVNNVRJ-UHFFFAOYSA-N
XLogP16.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 159534786
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
22-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474855

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole (CID 59489317) is 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7nc6-c6ccccc6)cc5)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is ATWTVIHYVNNVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4/c1-4-14-41(15-5-1)42-24-26-43(27-25-42)46-30-35-59-53(38-46)54-40-48(32-37-60(54)65(59)49-18-8-3-9-19-49)47-31-36-58-52(39-47)51-20-10-13-23-57(51)66(58)50-33-28-45(29-34-50)62-61(44-16-6-2-7-17-44)63-55-21-11-12-22-56(55)64-62/h1-40H.
What are the key properties of 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole?
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 841.03 g/mol, XLogP of 16.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 59489317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).