1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole

C52H34N2 — CID 166037123

IUPAC1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c32)cc1
InChIInChI=1S/C52H34N2/c1-2-17-39(18-3-1)53-48-26-11-9-22-43(48)46-25-14-24-45(52(46)53)41-20-7-6-19-40(41)42-21-8-12-27-49(42)54-50-28-13-10-23-44(50)47-34-38(31-32-51(47)54)37-30-29-35-15-4-5-16-36(35)33-37/h1-34H
InChIKeyKTIIFDKXCPFHFK-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole

1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole (PubChem CID 166037123) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
PubChem CID166037123
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c32)cc1
InChIInChI=1S/C52H34N2/c1-2-17-39(18-3-1)53-48-26-11-9-22-43(48)46-25-14-24-45(52(46)53)41-20-7-6-19-40(41)42-21-8-12-27-49(42)54-50-28-13-10-23-44(50)47-34-38(31-32-51(47)54)37-30-29-35-15-4-5-16-36(35)33-37/h1-34H
InChIKeyKTIIFDKXCPFHFK-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-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 170244502
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
CID 145085430
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
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
5-[5-[4-naphthalen-2-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621297
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
8-[9-(6-fluoranthen-3-ylnaphthalen-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;11-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-(9-phenylcarbazol-3-yl)benzo[a]carbazole;9-[9-(2-fluoranthen-3-ylphenyl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;9-[9-(2-fluoranthen-3-ylphenyl)carbazol-3-yl]-11-phenylbenzo[a]carbazole;11-(2-fluoranthen-3-ylphenyl)-8-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(2-fluoranthen-3-ylphenyl)-9-(9-phenylcarbazol-2-yl)benzo[a]carbazole
CID 157293261
10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 145085485
1-[2-[4-[2-[9-[3-[9-[2-[4,6-bis(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]phenyl]carbazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 149010944
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
CID 163615768
9-[9-[2-(2-fluoranthen-8-ylphenyl)phenyl]carbazol-3-yl]-11-phenylbenzo[a]carbazole
CID 130304238

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole (CID 166037123) is 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4ccccc4-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7ccccc7c6)ccc54)c32)cc1.
What is the InChIKey of 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole?
The InChIKey is KTIIFDKXCPFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-2-17-39(18-3-1)53-48-26-11-9-22-43(48)46-25-14-24-45(52(46)53)41-20-7-6-19-40(41)42-21-8-12-27-49(42)54-50-28-13-10-23-44(50)47-34-38(31-32-51(47)54)37-30-29-35-15-4-5-16-36(35)33-37/h1-34H.
What are the key properties of 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole?
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole 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 1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 166037123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).