3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole

C62H41NS — CID 144938389

IUPAC3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)S(c2ccccc2)(c2ccccc2)c2cc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)ccc2-3)cc1
InChIInChI=1S/C62H41NS/c1-4-16-42(17-5-1)45-30-34-55-56-35-33-48(41-62(56)64(61(55)40-45,49-22-6-2-7-23-49)50-24-8-3-9-25-50)63-59-36-31-46(53-28-14-20-43-18-10-12-26-51(43)53)38-57(59)58-39-47(32-37-60(58)63)54-29-15-21-44-19-11-13-27-52(44)54/h1-41H
InChIKeyDRQSLKGYQBBWPK-UHFFFAOYSA-N
MW832.08 g/mol
LogP17.41
Rot. Bonds6

About 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole

3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole (PubChem CID 144938389) has the molecular formula C62H41NS and a molecular weight of 832.08 g/mol. Its IUPAC name is 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole.

Molecular Properties

Compound Name3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
PubChem CID144938389
Molecular FormulaC62H41NS
Molecular Weight832.08 g/mol
Exact Mass831.30
IUPAC Name3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)S(c2ccccc2)(c2ccccc2)c2cc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)ccc2-3)cc1
InChIInChI=1S/C62H41NS/c1-4-16-42(17-5-1)45-30-34-55-56-35-33-48(41-62(56)64(61(55)40-45,49-22-6-2-7-23-49)50-24-8-3-9-25-50)63-59-36-31-46(53-28-14-20-43-18-10-12-26-51(43)53)38-57(59)58-39-47(32-37-60(58)63)54-29-15-21-44-19-11-13-27-52(44)54/h1-41H
InChIKeyDRQSLKGYQBBWPK-UHFFFAOYSA-N
XLogP17.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.08
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(7-dibenzofuran-4-yl-5,5-diphenyldibenzothiophen-3-yl)-3,6-dinaphthalen-1-ylcarbazole
CID 144938473
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
3-[9-(5,5-diphenyldibenzothiophen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 137466559
9-(7-naphthalen-1-yl-9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475106
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
9-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)carbazole
CID 177074752
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159018635

Frequently Asked Questions

What is the IUPAC name of 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole?
The IUPAC name of 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole (CID 144938389) is 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole.
What is the SMILES notation for 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole?
The canonical SMILES for 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole is c1ccc(-c2ccc3c(c2)S(c2ccccc2)(c2ccccc2)c2cc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7ccccc67)ccc54)ccc2-3)cc1.
What is the InChIKey of 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole?
The InChIKey is DRQSLKGYQBBWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NS/c1-4-16-42(17-5-1)45-30-34-55-56-35-33-48(41-62(56)64(61(55)40-45,49-22-6-2-7-23-49)50-24-8-3-9-25-50)63-59-36-31-46(53-28-14-20-43-18-10-12-26-51(43)53)38-57(59)58-39-47(32-37-60(58)63)54-29-15-21-44-19-11-13-27-52(44)54/h1-41H.
What are the key properties of 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole?
3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole has a molecular weight of 832.08 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole is sourced from PubChem (CID 144938389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).