9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole

C52H34N2 — CID 134369784

IUPAC9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-14-35(15-4-1)37-18-11-19-40(32-37)43-24-13-27-51-52(43)46-34-39(29-31-50(46)54(51)47-26-12-17-36-16-7-8-22-42(36)47)38-28-30-49-45(33-38)44-23-9-10-25-48(44)53(49)41-20-5-2-6-21-41/h1-34H
InChIKeyHDHVLRNLEPCCOR-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole

9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole (PubChem CID 134369784) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
PubChem CID134369784
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C52H34N2/c1-3-14-35(15-4-1)37-18-11-19-40(32-37)43-24-13-27-51-52(43)46-34-39(29-31-50(46)54(51)47-26-12-17-36-16-7-8-22-42(36)47)38-28-30-49-45(33-38)44-23-9-10-25-48(44)53(49)41-20-5-2-6-21-41/h1-34H
InChIKeyHDHVLRNLEPCCOR-UHFFFAOYSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenyl-5-(3-phenylphenyl)carbazole
CID 134369799
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole?
The IUPAC name of 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole (CID 134369784) is 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole?
The canonical SMILES for 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole?
The InChIKey is HDHVLRNLEPCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-14-35(15-4-1)37-18-11-19-40(32-37)43-24-13-27-51-52(43)46-34-39(29-31-50(46)54(51)47-26-12-17-36-16-7-8-22-42(36)47)38-28-30-49-45(33-38)44-23-9-10-25-48(44)53(49)41-20-5-2-6-21-41/h1-34H.
What are the key properties of 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole?
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole has a molecular weight of 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole is sourced from PubChem (CID 134369784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).