9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole

C48H30N2S — CID 118595129

IUPAC9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2sc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc3c2c1
InChIInChI=1S/C48H30N2S/c1-5-19-43-37(11-1)38-12-2-6-20-44(38)49(43)33-27-23-31(24-28-33)35-15-9-17-41-42-18-10-16-36(48(42)51-47(35)41)32-25-29-34(30-26-32)50-45-21-7-3-13-39(45)40-14-4-8-22-46(40)50/h1-30H
InChIKeyFAZBOQKFUNJQQF-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole

9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole (PubChem CID 118595129) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
PubChem CID118595129
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2sc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc3c2c1
InChIInChI=1S/C48H30N2S/c1-5-19-43-37(11-1)38-12-2-6-20-44(38)49(43)33-27-23-31(24-28-33)35-15-9-17-41-42-18-10-16-36(48(42)51-47(35)41)32-25-29-34(30-26-32)50-45-21-7-3-13-39(45)40-14-4-8-22-46(40)50/h1-30H
InChIKeyFAZBOQKFUNJQQF-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole
CID 87156483
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580043
N-[4-(2-fluorocarbazol-9-yl)phenyl]-4-phenyl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]aniline
CID 169073741

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole (CID 118595129) is 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2sc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cccc3c2c1.
What is the InChIKey of 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole?
The InChIKey is FAZBOQKFUNJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-5-19-43-37(11-1)38-12-2-6-20-44(38)49(43)33-27-23-31(24-28-33)35-15-9-17-41-42-18-10-16-36(48(42)51-47(35)41)32-25-29-34(30-26-32)50-45-21-7-3-13-39(45)40-14-4-8-22-46(40)50/h1-30H.
What are the key properties of 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole?
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole is sourced from PubChem (CID 118595129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).