3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole

C46H30N2 — CID 118581886

IUPAC3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
SMILESc1ccc(-c2ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)ccc3c2)cc1
InChIInChI=1S/C46H30N2/c1-3-11-31(12-4-1)32-19-20-34-28-38(24-21-33(34)27-32)48-44-18-10-8-16-40(44)42-30-36(23-26-46(42)48)35-22-25-45-41(29-35)39-15-7-9-17-43(39)47(45)37-13-5-2-6-14-37/h1-30H
InChIKeyMRRUGBHLVNBHQD-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole (PubChem CID 118581886) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
PubChem CID118581886
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
SMILESc1ccc(-c2ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)ccc3c2)cc1
InChIInChI=1S/C46H30N2/c1-3-11-31(12-4-1)32-19-20-34-28-38(24-21-33(34)27-32)48-44-18-10-8-16-40(44)42-30-36(23-26-46(42)48)35-22-25-45-41(29-35)39-15-7-9-17-43(39)47(45)37-13-5-2-6-14-37/h1-30H
InChIKeyMRRUGBHLVNBHQD-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-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
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
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
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole (CID 118581886) is 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole is c1ccc(-c2ccc3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)ccc3c2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole?
The InChIKey is MRRUGBHLVNBHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-11-31(12-4-1)32-19-20-34-28-38(24-21-33(34)27-32)48-44-18-10-8-16-40(44)42-30-36(23-26-46(42)48)35-22-25-45-41(29-35)39-15-7-9-17-43(39)47(45)37-13-5-2-6-14-37/h1-30H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-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 3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole is sourced from PubChem (CID 118581886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).