1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole

C48H29NS2 — CID 166037126

IUPAC1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2-n2c3ccccc3c3cccc(-c4ccc5c(c4)sc4ccccc45)c32)c1
InChIInChI=1S/C48H29NS2/c1-2-14-33(40-21-12-22-41-37-18-6-10-26-45(37)51-48(40)41)32(13-1)34-15-3-7-23-42(34)49-43-24-8-4-16-35(43)39-20-11-19-31(47(39)49)30-27-28-38-36-17-5-9-25-44(36)50-46(38)29-30/h1-29H
InChIKeyNCYPCXPKCSYRRA-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.52
Rot. Bonds4

About 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole

1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole (PubChem CID 166037126) has the molecular formula C48H29NS2 and a molecular weight of 683.90 g/mol. Its IUPAC name is 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
PubChem CID166037126
Molecular FormulaC48H29NS2
Molecular Weight683.90 g/mol
Exact Mass683.17
IUPAC Name1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2-n2c3ccccc3c3cccc(-c4ccc5c(c4)sc4ccccc45)c32)c1
InChIInChI=1S/C48H29NS2/c1-2-14-33(40-21-12-22-41-37-18-6-10-26-45(37)51-48(40)41)32(13-1)34-15-3-7-23-42(34)49-43-24-8-4-16-35(43)39-20-11-19-31(47(39)49)30-27-28-38-36-17-5-9-25-44(36)50-46(38)29-30/h1-29H
InChIKeyNCYPCXPKCSYRRA-UHFFFAOYSA-N
XLogP14.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.90
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 164953755
[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166589134
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169011191
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-4-phenylaniline;N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 165005699
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
CID 90180755
9-[4-carbazol-9-yl-6-(1-dibenzothiophen-4-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-dibenzothiophen-4-ylcarbazole
CID 163980013
12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165045068
2'-dibenzothiophen-4-yl-9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]
CID 135140336

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The IUPAC name of 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole (CID 166037126) is 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The canonical SMILES for 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole is c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccccc2-n2c3ccccc3c3cccc(-c4ccc5c(c4)sc4ccccc45)c32)c1.
What is the InChIKey of 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
The InChIKey is NCYPCXPKCSYRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS2/c1-2-14-33(40-21-12-22-41-37-18-6-10-26-45(37)51-48(40)41)32(13-1)34-15-3-7-23-42(34)49-43-24-8-4-16-35(43)39-20-11-19-31(47(39)49)30-27-28-38-36-17-5-9-25-44(36)50-46(38)29-30/h1-29H.
What are the key properties of 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole?
1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole has a molecular weight of 683.90 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzothiophen-3-yl-9-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 166037126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).