3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole

C46H30N2 — CID 58084668

IUPAC3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)c2)cc1
InChIInChI=1S/C46H30N2/c1-2-12-31(13-3-1)33-24-26-45-41(28-33)39-19-6-8-22-43(39)47(45)35-16-11-17-36(30-35)48-44-23-9-7-20-40(44)42-29-34(25-27-46(42)48)38-21-10-15-32-14-4-5-18-37(32)38/h1-30H
InChIKeyIHVRZYLZKQIROO-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

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

3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole (PubChem CID 58084668) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
PubChem CID58084668
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)c2)cc1
InChIInChI=1S/C46H30N2/c1-2-12-31(13-3-1)33-24-26-45-41(28-33)39-19-6-8-22-43(39)47(45)35-16-11-17-36(30-35)48-44-23-9-7-20-40(44)42-29-34(25-27-46(42)48)38-21-10-15-32-14-4-5-18-37(32)38/h1-30H
InChIKeyIHVRZYLZKQIROO-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

3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole
CID 160946049
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole (CID 58084668) is 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(-c5cccc6ccccc56)ccc43)c2)cc1.
What is the InChIKey of 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole?
The InChIKey is IHVRZYLZKQIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-2-12-31(13-3-1)33-24-26-45-41(28-33)39-19-6-8-22-43(39)47(45)35-16-11-17-36(30-35)48-44-23-9-7-20-40(44)42-29-34(25-27-46(42)48)38-21-10-15-32-14-4-5-18-37(32)38/h1-30H.
What are the key properties of 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole?
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]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 3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 58084668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).