9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole

C45H28N2 — CID 135130279

IUPAC9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)nc1
InChIInChI=1S/C45H28N2/c1-2-10-36(41-13-7-8-28-46-41)34(9-1)35-25-19-31-20-26-39-33(24-18-30-21-27-40(35)45(31)44(30)39)29-16-22-32(23-17-29)47-42-14-5-3-11-37(42)38-12-4-6-15-43(38)47/h1-28H
InChIKeyXIYGYJMFXKFTBS-UHFFFAOYSA-N
MW596.73 g/mol
LogP12.08
Rot. Bonds4

About 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole

9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole (PubChem CID 135130279) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
PubChem CID135130279
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)nc1
InChIInChI=1S/C45H28N2/c1-2-10-36(41-13-7-8-28-46-41)34(9-1)35-25-19-31-20-26-39-33(24-18-30-21-27-40(35)45(31)44(30)39)29-16-22-32(23-17-29)47-42-14-5-3-11-37(42)38-12-4-6-15-43(38)47/h1-28H
InChIKeyXIYGYJMFXKFTBS-UHFFFAOYSA-N
XLogP12.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 512.08
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-[4-[6-(2-methyliodanuidyl-5-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 163925841
9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 58273614
9-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
9-[4-[6-(2-methyl-5-tetracyclo[7.4.0.02,4.03,8]trideca-1(13),3(8),4,6,9,11-hexaenyl)pyren-1-yl]phenyl]carbazole
CID 143424120
9-[4-[6-(6-pyren-1-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 58099084
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
2,8-bis(4-carbazol-9-ylphenyl)-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 145413897
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-(7-tert-butylpyren-1-yl)-9-phenyl-7-pyridin-2-ylcarbazole
CID 59736368
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole (CID 135130279) is 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole is c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)nc1.
What is the InChIKey of 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole?
The InChIKey is XIYGYJMFXKFTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-2-10-36(41-13-7-8-28-46-41)34(9-1)35-25-19-31-20-26-39-33(24-18-30-21-27-40(35)45(31)44(30)39)29-16-22-32(23-17-29)47-42-14-5-3-11-37(42)38-12-4-6-15-43(38)47/h1-28H.
What are the key properties of 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole?
9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole has a molecular weight of 596.73 g/mol, XLogP of 12.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole is sourced from PubChem (CID 135130279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).