3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole

C58H38N2 — CID 126764146

IUPAC3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)c6)c5)c4)ccc32)cc1
InChIInChI=1S/C58H38N2/c1-2-21-49(22-3-1)59-55-25-8-6-23-51(55)53-37-47(28-31-57(53)59)44-19-11-17-42(34-44)40-15-10-16-41(33-40)43-18-12-20-45(35-43)48-29-32-58-54(38-48)52-24-7-9-26-56(52)60(58)50-30-27-39-13-4-5-14-46(39)36-50/h1-38H
InChIKeyXGKRHDAALHCXNP-UHFFFAOYSA-N
MW762.96 g/mol
LogP15.70
Rot. Bonds6

About 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole

3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole (PubChem CID 126764146) has the molecular formula C58H38N2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
PubChem CID126764146
Molecular FormulaC58H38N2
Molecular Weight762.96 g/mol
Exact Mass762.30
IUPAC Name3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)c6)c5)c4)ccc32)cc1
InChIInChI=1S/C58H38N2/c1-2-21-49(22-3-1)59-55-25-8-6-23-51(55)53-37-47(28-31-57(53)59)44-19-11-17-42(34-44)40-15-10-16-41(33-40)43-18-12-20-45(35-43)48-29-32-58-54(38-48)52-24-7-9-26-56(52)60(58)50-30-27-39-13-4-5-14-46(39)36-50/h1-38H
InChIKeyXGKRHDAALHCXNP-UHFFFAOYSA-N
XLogP15.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
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-(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-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 160549221

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole (CID 126764146) is 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)c6)c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is XGKRHDAALHCXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2/c1-2-21-49(22-3-1)59-55-25-8-6-23-51(55)53-37-47(28-31-57(53)59)44-19-11-17-42(34-44)40-15-10-16-41(33-40)43-18-12-20-45(35-43)48-29-32-58-54(38-48)52-24-7-9-26-56(52)60(58)50-30-27-39-13-4-5-14-46(39)36-50/h1-38H.
What are the key properties of 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole?
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole has a molecular weight of 762.96 g/mol, XLogP of 15.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 126764146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).