9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole

C39H24N2 — CID 135130218

IUPAC9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccncc7)ccc7ccc4c5c76)cc32)cc1
InChIInChI=1S/C39H24N2/c1-2-6-29(7-3-1)41-36-9-5-4-8-32(36)33-17-14-28(24-37(33)41)31-16-11-27-12-18-34-30(25-20-22-40-23-21-25)15-10-26-13-19-35(31)39(27)38(26)34/h1-24H
InChIKeyMAPMSOTUQINYHQ-UHFFFAOYSA-N
MW520.64 g/mol
LogP10.41
Rot. Bonds3

About 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole

9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole (PubChem CID 135130218) has the molecular formula C39H24N2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
PubChem CID135130218
Molecular FormulaC39H24N2
Molecular Weight520.64 g/mol
Exact Mass520.19
IUPAC Name9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccncc7)ccc7ccc4c5c76)cc32)cc1
InChIInChI=1S/C39H24N2/c1-2-6-29(7-3-1)41-36-9-5-4-8-32(36)33-17-14-28(24-37(33)41)31-16-11-27-12-18-34-30(25-20-22-40-23-21-25)15-10-26-13-19-35(31)39(27)38(26)34/h1-24H
InChIKeyMAPMSOTUQINYHQ-UHFFFAOYSA-N
XLogP10.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 510.41
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-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
7-phenyl-5-[6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]pyren-1-yl]indolo[2,3-b]carbazole
CID 118516736
9-[3-[6-(3-carbazol-9-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 172537457
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
CID 88964232
CID 88964232
9-phenyl-2-[4-phenyl-2-(4-pyren-1-ylphenyl)quinazolin-6-yl]carbazole
CID 145158981
9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517
11,11-dimethyl-5-phenyl-8-(6-phenylpyren-1-yl)indeno[1,2-b]carbazole
CID 169035317
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
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
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole?
The IUPAC name of 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole (CID 135130218) is 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole.
What is the SMILES notation for 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole?
The canonical SMILES for 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5ccc6c(-c7ccncc7)ccc7ccc4c5c76)cc32)cc1.
What is the InChIKey of 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole?
The InChIKey is MAPMSOTUQINYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2/c1-2-6-29(7-3-1)41-36-9-5-4-8-32(36)33-17-14-28(24-37(33)41)31-16-11-27-12-18-34-30(25-20-22-40-23-21-25)15-10-26-13-19-35(31)39(27)38(26)34/h1-24H.
What are the key properties of 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole?
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole has a molecular weight of 520.64 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole is sourced from PubChem (CID 135130218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).