3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole

C52H32N2S — CID 155305808

IUPAC3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C52H32N2S/c1-2-15-39-33(11-1)12-10-21-46(39)54-48-20-7-4-17-41(48)45-31-36(25-28-50(45)54)35-24-27-49-44(30-35)40-16-3-6-19-47(40)53(49)38-14-9-13-34(29-38)37-23-26-43-42-18-5-8-22-51(42)55-52(43)32-37/h1-32H
InChIKeyNTPHPXSUBHXUDM-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole

3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 155305808) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
PubChem CID155305808
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
SMILESc1cc(-c2ccc3c(c2)sc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C52H32N2S/c1-2-15-39-33(11-1)12-10-21-46(39)54-48-20-7-4-17-41(48)45-31-36(25-28-50(45)54)35-24-27-49-44(30-35)40-16-3-6-19-47(40)53(49)38-14-9-13-34(29-38)37-23-26-43-42-18-5-8-22-51(42)55-52(43)32-37/h1-32H
InChIKeyNTPHPXSUBHXUDM-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-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
CID 126632090
3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole
CID 122666250
7-dibenzothiophen-3-yl-18-(9-naphthalen-1-ylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651946
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole (CID 155305808) is 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole is c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1.
What is the InChIKey of 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is NTPHPXSUBHXUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-15-39-33(11-1)12-10-21-46(39)54-48-20-7-4-17-41(48)45-31-36(25-28-50(45)54)35-24-27-49-44(30-35)40-16-3-6-19-47(40)53(49)38-14-9-13-34(29-38)37-23-26-43-42-18-5-8-22-51(42)55-52(43)32-37/h1-32H.
What are the key properties of 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole 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 3-[9-(3-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 155305808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).