4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole

C60H38N2S — CID 162489007

IUPAC4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5sc5ccccc56)c43)cc2)cc1
InChIInChI=1S/C60H38N2S/c1-3-17-39(18-4-1)40-33-35-42(36-34-40)61-52-29-12-9-23-45(52)48-27-15-28-49(59(48)61)46-26-16-31-54-57(46)50-24-10-13-30-53(50)62(54)55-38-37-47(58-51-25-11-14-32-56(51)63-60(55)58)44-22-8-7-21-43(44)41-19-5-2-6-20-41/h1-38H
InChIKeyGIIUVBFKGGVJNF-UHFFFAOYSA-N
MW819.05 g/mol
LogP16.92
Rot. Bonds6

About 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole

4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 162489007) has the molecular formula C60H38N2S and a molecular weight of 819.05 g/mol. Its IUPAC name is 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
PubChem CID162489007
Molecular FormulaC60H38N2S
Molecular Weight819.05 g/mol
Exact Mass818.28
IUPAC Name4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5sc5ccccc56)c43)cc2)cc1
InChIInChI=1S/C60H38N2S/c1-3-17-39(18-4-1)40-33-35-42(36-34-40)61-52-29-12-9-23-45(52)48-27-15-28-49(59(48)61)46-26-16-31-54-57(46)50-24-10-13-30-53(50)62(54)55-38-37-47(58-51-25-11-14-32-56(51)63-60(55)58)44-22-8-7-21-43(44)41-19-5-2-6-20-41/h1-38H
InChIKeyGIIUVBFKGGVJNF-UHFFFAOYSA-N
XLogP16.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.05
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490719
2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(3-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 163614283
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
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
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
10-phenyl-9-[2-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828067
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
12-naphthalen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159358561
3-(9-phenylcarbazol-2-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490880
2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162488955
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole (CID 162489007) is 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccccc6-c6ccccc6)c6c5sc5ccccc56)c43)cc2)cc1.
What is the InChIKey of 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The InChIKey is GIIUVBFKGGVJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2S/c1-3-17-39(18-4-1)40-33-35-42(36-34-40)61-52-29-12-9-23-45(52)48-27-15-28-49(59(48)61)46-26-16-31-54-57(46)50-24-10-13-30-53(50)62(54)55-38-37-47(58-51-25-11-14-32-56(51)63-60(55)58)44-22-8-7-21-43(44)41-19-5-2-6-20-41/h1-38H.
What are the key properties of 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole has a molecular weight of 819.05 g/mol, XLogP of 16.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 162489007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).