9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole

C50H32N4 — CID 130355744

IUPAC9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccncc4n5-c4cncc(-c5ccc6ccccc6c5)c4)ccc32)cc1
InChIInChI=1S/C50H32N4/c1-2-11-34(12-3-1)41-14-6-8-16-46(41)54-47-17-9-7-15-42(47)44-28-38(21-23-49(44)54)37-20-22-48-45(29-37)43-24-25-51-32-50(43)53(48)40-27-39(30-52-31-40)36-19-18-33-10-4-5-13-35(33)26-36/h1-32H
InChIKeyZHYSEENUXBNHOP-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole

9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole (PubChem CID 130355744) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
PubChem CID130355744
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccncc4n5-c4cncc(-c5ccc6ccccc6c5)c4)ccc32)cc1
InChIInChI=1S/C50H32N4/c1-2-11-34(12-3-1)41-14-6-8-16-46(41)54-47-17-9-7-15-42(47)44-28-38(21-23-49(44)54)37-20-22-48-45(29-37)43-24-25-51-32-50(43)53(48)40-27-39(30-52-31-40)36-19-18-33-10-4-5-13-35(33)26-36/h1-32H
InChIKeyZHYSEENUXBNHOP-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
3-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 164991388
3-[4-[2-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 162107849
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
5-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyrido[4,3-b]indole
CID 151645202
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-[3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylphenyl]phenyl]-1-phenylpyrido[4,3-b]indole;9-[2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole;5-[3-[4-(9,10-diphenylanthracen-2-yl)-2-methylphenyl]phenyl]pyrido[4,3-b]indole;9-[2-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]pyrido[3,4-b]indole
CID 159877278
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(2-phenylphenyl)carbazole
CID 142315112
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
9-[3-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]-5-phenylphenyl]pyrido[3,4-b]indole
CID 58098992

Frequently Asked Questions

What is the IUPAC name of 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
The IUPAC name of 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole (CID 130355744) is 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
The canonical SMILES for 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole is c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccncc4n5-c4cncc(-c5ccc6ccccc6c5)c4)ccc32)cc1.
What is the InChIKey of 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
The InChIKey is ZHYSEENUXBNHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-2-11-34(12-3-1)41-14-6-8-16-46(41)54-47-17-9-7-15-42(47)44-28-38(21-23-49(44)54)37-20-22-48-45(29-37)43-24-25-51-32-50(43)53(48)40-27-39(30-52-31-40)36-19-18-33-10-4-5-13-35(33)26-36/h1-32H.
What are the key properties of 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole?
9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-naphthalen-2-yl-3-pyridinyl)-6-[9-(2-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 130355744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).