2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole

C52H32N2S — CID 144964121

IUPAC2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccc8sc9ccccc9c8c7)cc7ccccc67)c5c4)cc32)cc1
InChIInChI=1S/C52H32N2S/c1-2-13-38(14-3-1)53-46-19-9-6-16-40(46)42-25-22-34(30-49(42)53)35-23-26-43-41-17-7-10-20-47(41)54(50(43)31-35)48-32-37(28-36-12-4-5-15-39(36)48)33-24-27-52-45(29-33)44-18-8-11-21-51(44)55-52/h1-32H
InChIKeyRKJJQGWKGXWZPI-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole

2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 144964121) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID144964121
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccc8sc9ccccc9c8c7)cc7ccccc67)c5c4)cc32)cc1
InChIInChI=1S/C52H32N2S/c1-2-13-38(14-3-1)53-46-19-9-6-16-40(46)42-25-22-34(30-49(42)53)35-23-26-43-41-17-7-10-20-47(41)54(50(43)31-35)48-32-37(28-36-12-4-5-15-39(36)48)33-24-27-52-45(29-33)44-18-8-11-21-51(44)55-52/h1-32H
InChIKeyRKJJQGWKGXWZPI-UHFFFAOYSA-N
XLogP14.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
3-[9-(3-dibenzothiophen-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534088
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
CID 134223431
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-N-dibenzothiophen-2-yl-3-N-[3-[9-phenanthren-9-yl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 147950508

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole (CID 144964121) is 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cc(-c7ccc8sc9ccccc9c8c7)cc7ccccc67)c5c4)cc32)cc1.
What is the InChIKey of 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is RKJJQGWKGXWZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-13-38(14-3-1)53-46-19-9-6-16-40(46)42-25-22-34(30-49(42)53)35-23-26-43-41-17-7-10-20-47(41)54(50(43)31-35)48-32-37(28-36-12-4-5-15-39(36)48)33-24-27-52-45(29-33)44-18-8-11-21-51(44)55-52/h1-32H.
What are the key properties of 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole?
2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 716.91 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-dibenzothiophen-2-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 144964121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).