9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole

C45H28N2 — CID 58273614

IUPAC9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
SMILESc1cncc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc6ccc3c4c65)cc2)c1
InChIInChI=1S/C45H28N2/c1-3-9-42-38(7-1)39-8-2-4-10-43(39)47(42)35-21-15-31(16-22-35)37-24-18-33-19-25-40-36(23-17-32-20-26-41(37)45(33)44(32)40)30-13-11-29(12-14-30)34-6-5-27-46-28-34/h1-28H
InChIKeyHIPDXISEIHGMBT-UHFFFAOYSA-N
MW596.73 g/mol
LogP12.08
Rot. Bonds4

About 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole

9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole (PubChem CID 58273614) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
PubChem CID58273614
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole
SMILESc1cncc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc6ccc3c4c65)cc2)c1
InChIInChI=1S/C45H28N2/c1-3-9-42-38(7-1)39-8-2-4-10-43(39)47(42)35-21-15-31(16-22-35)37-24-18-33-19-25-40-36(23-17-32-20-26-41(37)45(33)44(32)40)30-13-11-29(12-14-30)34-6-5-27-46-28-34/h1-28H
InChIKeyHIPDXISEIHGMBT-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-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]carbazole
CID 58273517
9-phenyl-2-(6-pyridin-4-ylpyren-1-yl)carbazole
CID 135130218
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
9-[4-[6-(2-pyridin-2-ylphenyl)pyren-1-yl]phenyl]carbazole
CID 135130279
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 121422973
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
7-phenyl-5-[4-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[c]carbazole
CID 164843445
9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422907
9-[4-[6-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58489429
9-[4-[8-(4-pyrimidin-5-ylphenyl)naphthalen-1-yl]phenyl]carbazole
CID 121286038
(Z)-prop-1-en-1-amine;3-[8-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 144553772
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole (CID 58273614) is 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole is c1cncc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc6ccc3c4c65)cc2)c1.
What is the InChIKey of 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole?
The InChIKey is HIPDXISEIHGMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-3-9-42-38(7-1)39-8-2-4-10-43(39)47(42)35-21-15-31(16-22-35)37-24-18-33-19-25-40-36(23-17-32-20-26-41(37)45(33)44(32)40)30-13-11-29(12-14-30)34-6-5-27-46-28-34/h1-28H.
What are the key properties of 9-[4-[6-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole?
9-[4-[6-(4-pyridin-3-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-(4-pyridin-3-ylphenyl)pyren-1-yl]phenyl]carbazole is sourced from PubChem (CID 58273614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).