9-(6-carbazol-9-ylpyren-1-yl)carbazole

C40H24N2 — CID 90336808

IUPAC9-(6-carbazol-9-ylpyren-1-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3c(-n4c5ccccc5c5ccccc54)ccc4ccc1c2c43
InChIInChI=1S/C40H24N2/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)41(33)37-23-19-25-18-22-32-38(24-20-26-17-21-31(37)39(25)40(26)32)42-35-15-7-3-11-29(35)30-12-4-8-16-36(30)42/h1-24H
InChIKeyDHTVYWGQVMIFFU-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.78
Rot. Bonds2

About 9-(6-carbazol-9-ylpyren-1-yl)carbazole

9-(6-carbazol-9-ylpyren-1-yl)carbazole (PubChem CID 90336808) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 9-(6-carbazol-9-ylpyren-1-yl)carbazole.

Molecular Properties

Compound Name9-(6-carbazol-9-ylpyren-1-yl)carbazole
PubChem CID90336808
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name9-(6-carbazol-9-ylpyren-1-yl)carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3c(-n4c5ccccc5c5ccccc54)ccc4ccc1c2c43
InChIInChI=1S/C40H24N2/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)41(33)37-23-19-25-18-22-32-38(24-20-26-17-21-31(37)39(25)40(26)32)42-35-15-7-3-11-29(35)30-12-4-8-16-36(30)42/h1-24H
InChIKeyDHTVYWGQVMIFFU-UHFFFAOYSA-N
XLogP10.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 510.78
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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Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-ylpyren-1-yl)carbazole?
The IUPAC name of 9-(6-carbazol-9-ylpyren-1-yl)carbazole (CID 90336808) is 9-(6-carbazol-9-ylpyren-1-yl)carbazole.
What is the SMILES notation for 9-(6-carbazol-9-ylpyren-1-yl)carbazole?
The canonical SMILES for 9-(6-carbazol-9-ylpyren-1-yl)carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2ccc3c(-n4c5ccccc5c5ccccc54)ccc4ccc1c2c43.
What is the InChIKey of 9-(6-carbazol-9-ylpyren-1-yl)carbazole?
The InChIKey is DHTVYWGQVMIFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-5-13-33-27(9-1)28-10-2-6-14-34(28)41(33)37-23-19-25-18-22-32-38(24-20-26-17-21-31(37)39(25)40(26)32)42-35-15-7-3-11-29(35)30-12-4-8-16-36(30)42/h1-24H.
What are the key properties of 9-(6-carbazol-9-ylpyren-1-yl)carbazole?
9-(6-carbazol-9-ylpyren-1-yl)carbazole has a molecular weight of 532.65 g/mol, XLogP of 10.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-ylpyren-1-yl)carbazole is sourced from PubChem (CID 90336808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).