3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole

C39H25N3 — CID 166905670

IUPAC3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)nc1
InChIInChI=1S/C39H25N3/c1-2-12-29-26(10-1)11-9-17-34(29)41-35-15-5-3-13-30(35)32-24-27(19-21-37(32)41)28-20-22-38-33(25-28)31-14-4-6-16-36(31)42(38)39-18-7-8-23-40-39/h1-25H
InChIKeyKJUQEHKGEJNCEO-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds3

About 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole (PubChem CID 166905670) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
PubChem CID166905670
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)nc1
InChIInChI=1S/C39H25N3/c1-2-12-29-26(10-1)11-9-17-34(29)41-35-15-5-3-13-30(35)32-24-27(19-21-37(32)41)28-20-22-38-33(25-28)31-14-4-6-16-36(31)42(38)39-18-7-8-23-40-39/h1-25H
InChIKeyKJUQEHKGEJNCEO-UHFFFAOYSA-N
XLogP10.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 118487737
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 135194976
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The IUPAC name of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole (CID 166905670) is 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)nc1.
What is the InChIKey of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The InChIKey is KJUQEHKGEJNCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-12-29-26(10-1)11-9-17-34(29)41-35-15-5-3-13-30(35)32-24-27(19-21-37(32)41)28-20-22-38-33(25-28)31-14-4-6-16-36(31)42(38)39-18-7-8-23-40-39/h1-25H.
What are the key properties of 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole?
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole has a molecular weight of 535.65 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 166905670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).