3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole

C49H32N2 — CID 177074748

IUPAC3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
SMILESc1cncc(-n2c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc32)c1
InChIInChI=1S/C49H32N2/c1-3-8-39-28-41(21-19-33(39)6-1)35-11-15-37(16-12-35)43-23-25-48-46(30-43)47-31-44(24-26-49(47)51(48)45-10-5-27-50-32-45)38-17-13-36(14-18-38)42-22-20-34-7-2-4-9-40(34)29-42/h1-32H
InChIKeyJAVZYRJEXRYBSJ-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.15
Rot. Bonds5

About 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole

3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole (PubChem CID 177074748) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole.

Molecular Properties

Compound Name3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
PubChem CID177074748
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
SMILESc1cncc(-n2c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc32)c1
InChIInChI=1S/C49H32N2/c1-3-8-39-28-41(21-19-33(39)6-1)35-11-15-37(16-12-35)43-23-25-48-46(30-43)47-31-44(24-26-49(47)51(48)45-10-5-27-50-32-45)38-17-13-36(14-18-38)42-22-20-34-7-2-4-9-40(34)29-42/h1-32H
InChIKeyJAVZYRJEXRYBSJ-UHFFFAOYSA-N
XLogP13.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
9-naphthalen-2-yl-3-(10-pyridin-3-ylanthracen-9-yl)carbazole;3-(10-pyridin-3-ylanthracen-9-yl)-9-quinolin-3-ylcarbazole;9-pyridin-3-yl-3-(10-pyridin-3-ylanthracen-9-yl)carbazole
CID 159111759
10-isoquinolin-3-yl-7-pyridin-3-ylbenzo[c]carbazole
CID 90250026
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
2-[4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500817
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
CID 163724043
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole?
The IUPAC name of 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole (CID 177074748) is 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole.
What is the SMILES notation for 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole?
The canonical SMILES for 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole is c1cncc(-n2c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc32)c1.
What is the InChIKey of 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole?
The InChIKey is JAVZYRJEXRYBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-8-39-28-41(21-19-33(39)6-1)35-11-15-37(16-12-35)43-23-25-48-46(30-43)47-31-44(24-26-49(47)51(48)45-10-5-27-50-32-45)38-17-13-36(14-18-38)42-22-20-34-7-2-4-9-40(34)29-42/h1-32H.
What are the key properties of 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole?
3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole has a molecular weight of 648.81 g/mol, XLogP of 13.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole is sourced from PubChem (CID 177074748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).