9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole

C52H32N2 — CID 139341260

IUPAC9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc7ccc4c5c76)cc32)cc1
InChIInChI=1S/C52H32N2/c1-3-11-37(12-4-1)53-47-17-9-7-15-41(47)43-27-23-35(31-49(43)53)39-25-19-33-22-30-46-40(26-20-34-21-29-45(39)51(33)52(34)46)36-24-28-44-42-16-8-10-18-48(42)54(50(44)32-36)38-13-5-2-6-14-38/h1-32H
InChIKeyIEAPKRFTTYQIHR-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.11
Rot. Bonds4

About 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole

9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole (PubChem CID 139341260) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
PubChem CID139341260
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc7ccc4c5c76)cc32)cc1
InChIInChI=1S/C52H32N2/c1-3-11-37(12-4-1)53-47-17-9-7-15-41(47)43-27-23-35(31-49(43)53)39-25-19-33-22-30-46-40(26-20-34-21-29-45(39)51(33)52(34)46)36-24-28-44-42-16-8-10-18-48(42)54(50(44)32-36)38-13-5-2-6-14-38/h1-32H
InChIKeyIEAPKRFTTYQIHR-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

9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
CID 88964232
CID 88964232
7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
CID 176780561
7-phenyl-5-[6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyren-1-yl]indolo[2,3-b]carbazole
CID 118516736
11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
CID 169035317
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-phenyl-2-[4-phenyl-2-(4-pyren-1-ylphenyl)quinazolin-6-yl]carbazole
CID 145158981
2-(9-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)-9-phenylcarbazole
CID 121287520
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
2-phenyl-9-[4-[6-(4-propylphenyl)pyren-1-yl]phenyl]carbazole
CID 88536147

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole?
The IUPAC name of 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole (CID 139341260) is 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc7ccc4c5c76)cc32)cc1.
What is the InChIKey of 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole?
The InChIKey is IEAPKRFTTYQIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-11-37(12-4-1)53-47-17-9-7-15-41(47)43-27-23-35(31-49(43)53)39-25-19-33-22-30-46-40(26-20-34-21-29-45(39)51(33)52(34)46)36-24-28-44-42-16-8-10-18-48(42)54(50(44)32-36)38-13-5-2-6-14-38/h1-32H.
What are the key properties of 9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole?
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]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-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole is sourced from PubChem (CID 139341260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).