9-(9-carbazol-9-ylpyren-4-yl)carbazole

C40H24N2 — CID 174313049

IUPAC9-(9-carbazol-9-ylpyren-4-yl)carbazole
SMILESc1cc2cc(-n3c4ccccc4c4ccccc43)c3cccc4cc(-n5c6ccccc6c6ccccc65)c(c1)c2c43
InChIInChI=1S/C40H24N2/c1-5-19-33-27(13-1)28-14-2-6-20-34(28)41(33)37-23-25-11-10-18-32-38(24-26-12-9-17-31(37)39(26)40(25)32)42-35-21-7-3-15-29(35)30-16-4-8-22-36(30)42/h1-24H
InChIKeyDPNSIQKNKVKAQX-UHFFFAOYSA-N
MW532.65 g/mol
LogP10.78
Rot. Bonds2

About 9-(9-carbazol-9-ylpyren-4-yl)carbazole

9-(9-carbazol-9-ylpyren-4-yl)carbazole (PubChem CID 174313049) has the molecular formula C40H24N2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 9-(9-carbazol-9-ylpyren-4-yl)carbazole.

Molecular Properties

Compound Name9-(9-carbazol-9-ylpyren-4-yl)carbazole
PubChem CID174313049
Molecular FormulaC40H24N2
Molecular Weight532.65 g/mol
Exact Mass532.19
IUPAC Name9-(9-carbazol-9-ylpyren-4-yl)carbazole
SMILESc1cc2cc(-n3c4ccccc4c4ccccc43)c3cccc4cc(-n5c6ccccc6c6ccccc65)c(c1)c2c43
InChIInChI=1S/C40H24N2/c1-5-19-33-27(13-1)28-14-2-6-20-34(28)41(33)37-23-25-11-10-18-32-38(24-26-12-9-17-31(37)39(26)40(25)32)42-35-21-7-3-15-29(35)30-16-4-8-22-36(30)42/h1-24H
InChIKeyDPNSIQKNKVKAQX-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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Related Compounds

9-(3-bromonaphthalen-2-yl)carbazole
CID 166009716
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
9-(12-hexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)-3-[9-(12-hexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaenyl)carbazol-2-yl]carbazole;9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)-2-[9-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)carbazol-3-yl]carbazole
CID 161258910
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
16-carbazol-9-yl-3-phenyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4,6,8,11,13,15,17,19(23),20-undecaene
CID 90381333
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334
9-phenanthren-9-yl-2-(9-phenanthren-9-ylcarbazol-3-yl)carbazole
CID 134507293
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
9-(6,8-diphenylpyren-1-yl)carbazole
CID 90336849
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
9-[2-(2-benzo[b]triphenylen-10-ylphenyl)phenyl]carbazole
CID 126633118
(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid
CID 174312456

Frequently Asked Questions

What is the IUPAC name of 9-(9-carbazol-9-ylpyren-4-yl)carbazole?
The IUPAC name of 9-(9-carbazol-9-ylpyren-4-yl)carbazole (CID 174313049) is 9-(9-carbazol-9-ylpyren-4-yl)carbazole.
What is the SMILES notation for 9-(9-carbazol-9-ylpyren-4-yl)carbazole?
The canonical SMILES for 9-(9-carbazol-9-ylpyren-4-yl)carbazole is c1cc2cc(-n3c4ccccc4c4ccccc43)c3cccc4cc(-n5c6ccccc6c6ccccc65)c(c1)c2c43.
What is the InChIKey of 9-(9-carbazol-9-ylpyren-4-yl)carbazole?
The InChIKey is DPNSIQKNKVKAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2/c1-5-19-33-27(13-1)28-14-2-6-20-34(28)41(33)37-23-25-11-10-18-32-38(24-26-12-9-17-31(37)39(26)40(25)32)42-35-21-7-3-15-29(35)30-16-4-8-22-36(30)42/h1-24H.
What are the key properties of 9-(9-carbazol-9-ylpyren-4-yl)carbazole?
9-(9-carbazol-9-ylpyren-4-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-(9-carbazol-9-ylpyren-4-yl)carbazole is sourced from PubChem (CID 174313049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).