3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole

C52H34N2 — CID 170244502

IUPAC3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H34N2/c1-3-14-36(15-4-1)43-19-9-11-21-48(43)54-51-29-26-39(38-24-23-35-13-7-8-16-37(35)31-38)33-46(51)47-34-41(27-30-52(47)54)40-25-28-50-45(32-40)44-20-10-12-22-49(44)53(50)42-17-5-2-6-18-42/h1-34H
InChIKeyCNIYLWPUNVMFCS-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole

3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole (PubChem CID 170244502) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
PubChem CID170244502
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H34N2/c1-3-14-36(15-4-1)43-19-9-11-21-48(43)54-51-29-26-39(38-24-23-35-13-7-8-16-37(35)31-38)33-46(51)47-34-41(27-30-52(47)54)40-25-28-50-45(32-40)44-20-10-12-22-49(44)53(50)42-17-5-2-6-18-42/h1-34H
InChIKeyCNIYLWPUNVMFCS-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

3-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 164991388
3-[4-[2-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 162107849
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
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-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-(9-phenylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 161191083
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole (CID 170244502) is 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-n2c3ccc(-c4ccc5ccccc5c4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole?
The InChIKey is CNIYLWPUNVMFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-14-36(15-4-1)43-19-9-11-21-48(43)54-51-29-26-39(38-24-23-35-13-7-8-16-37(35)31-38)33-46(51)47-34-41(27-30-52(47)54)40-25-28-50-45(32-40)44-20-10-12-22-49(44)53(50)42-17-5-2-6-18-42/h1-34H.
What are the key properties of 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole?
3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-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 3-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 170244502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).