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

C46H30N2 — CID 134369788

IUPAC5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(-c6cccc7ccccc67)cccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C46H30N2/c1-3-15-34(16-4-1)47-42-23-10-9-20-38(42)40-29-32(25-27-43(40)47)33-26-28-44-41(30-33)46-39(37-21-11-14-31-13-7-8-19-36(31)37)22-12-24-45(46)48(44)35-17-5-2-6-18-35/h1-30H
InChIKeyXPQYTPZWMWWQKS-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

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

5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 134369788) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
PubChem CID134369788
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(-c6cccc7ccccc67)cccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C46H30N2/c1-3-15-34(16-4-1)47-42-23-10-9-20-38(42)40-29-32(25-27-43(40)47)33-26-28-44-41(30-33)46-39(37-21-11-14-31-13-7-8-19-36(31)37)22-12-24-45(46)48(44)35-17-5-2-6-18-35/h1-30H
InChIKeyXPQYTPZWMWWQKS-UHFFFAOYSA-N
XLogP12.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369811
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (CID 134369788) is 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c(-c6cccc7ccccc67)cccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is XPQYTPZWMWWQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-15-34(16-4-1)47-42-23-10-9-20-38(42)40-29-32(25-27-43(40)47)33-26-28-44-41(30-33)46-39(37-21-11-14-31-13-7-8-19-36(31)37)22-12-24-45(46)48(44)35-17-5-2-6-18-35/h1-30H.
What are the key properties of 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 134369788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).