9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole

C52H32N2 — CID 172537457

IUPAC9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N2/c1-5-19-47-41(15-1)42-16-2-6-20-48(42)53(47)37-13-9-11-35(31-37)39-27-23-33-26-30-46-40(28-24-34-25-29-45(39)51(33)52(34)46)36-12-10-14-38(32-36)54-49-21-7-3-17-43(49)44-18-4-8-22-50(44)54/h1-32H
InChIKeyCWAXWMRBHYFJRC-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.11
Rot. Bonds4

About 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole

9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole (PubChem CID 172537457) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
PubChem CID172537457
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N2/c1-5-19-47-41(15-1)42-16-2-6-20-48(42)53(47)37-13-9-11-35(31-37)39-27-23-33-26-30-46-40(28-24-34-25-29-45(39)51(33)52(34)46)36-12-10-14-38(32-36)54-49-21-7-3-17-43(49)44-18-4-8-22-50(44)54/h1-32H
InChIKeyCWAXWMRBHYFJRC-UHFFFAOYSA-N
XLogP14.11
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
9-[3-[3,8-bis(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[3,8-bis(4-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-3-naphthalen-1-ylpyren-1-yl]phenyl]carbazole
CID 158821382
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
9-[3-(6-pyren-1-ylpyren-1-yl)phenyl]-3,4-didehydrocarbazole
CID 134469326
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
CID 87156414
1,3-diphenyl-10-(3-pyren-1-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315743
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
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
7,7-dimethyl-5-[3-[6-(2-phenylphenyl)pyren-1-yl]phenyl]indeno[2,1-b]carbazole
CID 176780512

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole (CID 172537457) is 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole is c1cc(-c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole?
The InChIKey is CWAXWMRBHYFJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-5-19-47-41(15-1)42-16-2-6-20-48(42)53(47)37-13-9-11-35(31-37)39-27-23-33-26-30-46-40(28-24-34-25-29-45(39)51(33)52(34)46)36-12-10-14-38(32-36)54-49-21-7-3-17-43(49)44-18-4-8-22-50(44)54/h1-32H.
What are the key properties of 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole?
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole has a molecular weight of 684.84 g/mol, XLogP of 14.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole is sourced from PubChem (CID 172537457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).