9-(4-pyren-2-ylphenyl)carbazole

C34H21N — CID 58273485

IUPAC9-(4-pyren-2-ylphenyl)carbazole
SMILESc1cc2ccc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccc(c1)c2c34
InChIInChI=1S/C34H21N/c1-3-10-31-29(8-1)30-9-2-4-11-32(30)35(31)28-18-16-22(17-19-28)27-20-25-14-12-23-6-5-7-24-13-15-26(21-27)34(25)33(23)24/h1-21H
InChIKeyIHRHORGIZKMJRM-UHFFFAOYSA-N
MW443.55 g/mol
LogP9.35
Rot. Bonds2

About 9-(4-pyren-2-ylphenyl)carbazole

9-(4-pyren-2-ylphenyl)carbazole (PubChem CID 58273485) has the molecular formula C34H21N and a molecular weight of 443.55 g/mol. Its IUPAC name is 9-(4-pyren-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-pyren-2-ylphenyl)carbazole
PubChem CID58273485
Molecular FormulaC34H21N
Molecular Weight443.55 g/mol
Exact Mass443.17
IUPAC Name9-(4-pyren-2-ylphenyl)carbazole
SMILESc1cc2ccc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccc(c1)c2c34
InChIInChI=1S/C34H21N/c1-3-10-31-29(8-1)30-9-2-4-11-32(30)35(31)28-18-16-22(17-19-28)27-20-25-14-12-23-6-5-7-24-13-15-26(21-27)34(25)33(23)24/h1-21H
InChIKeyIHRHORGIZKMJRM-UHFFFAOYSA-N
XLogP9.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137464
9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
CID 90126083
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 58690855
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902
9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 58879515

Frequently Asked Questions

What is the IUPAC name of 9-(4-pyren-2-ylphenyl)carbazole?
The IUPAC name of 9-(4-pyren-2-ylphenyl)carbazole (CID 58273485) is 9-(4-pyren-2-ylphenyl)carbazole.
What is the SMILES notation for 9-(4-pyren-2-ylphenyl)carbazole?
The canonical SMILES for 9-(4-pyren-2-ylphenyl)carbazole is c1cc2ccc3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4ccc(c1)c2c34.
What is the InChIKey of 9-(4-pyren-2-ylphenyl)carbazole?
The InChIKey is IHRHORGIZKMJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N/c1-3-10-31-29(8-1)30-9-2-4-11-32(30)35(31)28-18-16-22(17-19-28)27-20-25-14-12-23-6-5-7-24-13-15-26(21-27)34(25)33(23)24/h1-21H.
What are the key properties of 9-(4-pyren-2-ylphenyl)carbazole?
9-(4-pyren-2-ylphenyl)carbazole has a molecular weight of 443.55 g/mol, XLogP of 9.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyren-2-ylphenyl)carbazole is sourced from PubChem (CID 58273485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).