3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole

C48H31N3 — CID 163724043

IUPAC3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc6ccccc6c5)n4)cc3c3cc(-c4cccc(-c5ccc6ccccc6c5)n4)ccc32)cc1
InChIInChI=1S/C48H31N3/c1-2-14-40(15-3-1)51-47-26-24-38(45-18-8-16-43(49-45)36-22-20-32-10-4-6-12-34(32)28-36)30-41(47)42-31-39(25-27-48(42)51)46-19-9-17-44(50-46)37-23-21-33-11-5-7-13-35(33)29-37/h1-31H
InChIKeyKUBHNCCVADDMFN-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole

3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole (PubChem CID 163724043) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
PubChem CID163724043
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc6ccccc6c5)n4)cc3c3cc(-c4cccc(-c5ccc6ccccc6c5)n4)ccc32)cc1
InChIInChI=1S/C48H31N3/c1-2-14-40(15-3-1)51-47-26-24-38(45-18-8-16-43(49-45)36-22-20-32-10-4-6-12-34(32)28-36)30-41(47)42-31-39(25-27-48(42)51)46-19-9-17-44(50-46)37-23-21-33-11-5-7-13-35(33)29-37/h1-31H
InChIKeyKUBHNCCVADDMFN-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(9-naphthalen-2-ylcarbazol-2-yl)-9-[3-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 118508713
2-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylpyrido[3,2-b]indole;5-phenyl-2-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]pyrido[3,2-b]indole
CID 161134687
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
8-[6-[4-tert-butyl-6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]-5-phenylpyrido[4,3-b]indole
CID 88886649

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole?
The IUPAC name of 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole (CID 163724043) is 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole?
The canonical SMILES for 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4cccc(-c5ccc6ccccc6c5)n4)cc3c3cc(-c4cccc(-c5ccc6ccccc6c5)n4)ccc32)cc1.
What is the InChIKey of 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole?
The InChIKey is KUBHNCCVADDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-14-40(15-3-1)51-47-26-24-38(45-18-8-16-43(49-45)36-22-20-32-10-4-6-12-34(32)28-36)30-41(47)42-31-39(25-27-48(42)51)46-19-9-17-44(50-46)37-23-21-33-11-5-7-13-35(33)29-37/h1-31H.
What are the key properties of 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole?
3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole is sourced from PubChem (CID 163724043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).