4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine

C60H40N2S — CID 176608227

IUPAC4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C60H40N2S/c1-4-17-41(18-5-1)43-31-34-47(35-32-43)61(56-37-33-45(42-19-6-2-7-20-42)40-53(56)44-21-8-3-9-22-44)57-38-36-49(60-59(57)52-27-12-15-30-58(52)63-60)46-23-16-24-48(39-46)62-54-28-13-10-25-50(54)51-26-11-14-29-55(51)62/h1-40H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,17D,18D,19D,20D,21D,22D,31D,32D,33D,34D,35D,37D,40D
InChIKeyHTLZGVRBKORRFL-HXNXMDRQSA-N
MW843.20 g/mol
LogP17.29
Rot. Bonds8

About 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine

4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine (PubChem CID 176608227) has the molecular formula C60H40N2S and a molecular weight of 843.20 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine
PubChem CID176608227
Molecular FormulaC60H40N2S
Molecular Weight843.20 g/mol
Exact Mass842.43
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C60H40N2S/c1-4-17-41(18-5-1)43-31-34-47(35-32-43)61(56-37-33-45(42-19-6-2-7-20-42)40-53(56)44-21-8-3-9-22-44)57-38-36-49(60-59(57)52-27-12-15-30-58(52)63-60)46-23-16-24-48(39-46)62-54-28-13-10-25-50(54)51-26-11-14-29-55(51)62/h1-40H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,17D,18D,19D,20D,21D,22D,31D,32D,33D,34D,35D,37D,40D
InChIKeyHTLZGVRBKORRFL-HXNXMDRQSA-N
XLogP17.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.20
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine 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

4-(3-carbazol-9-ylphenyl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 176609909
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
CID 176609982
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,3,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]dibenzothiophen-1-amine
CID 177287315
4-(3-carbazol-9-ylphenyl)-N-(3-methyl-4,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176607775
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 165384111
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2,3,5,6-tetradeuterio-4-phenyl-N-(4-phenylphenyl)aniline
CID 166581636
4-(4-carbazol-9-ylphenyl)-N-(2,5-dimethyl-4-phenylphenyl)-N-(3-methyl-4-phenylphenyl)dibenzothiophen-1-amine
CID 176608105
4-(4-carbazol-9-ylphenyl)-N-(3,5-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176608704
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847825
N-[2-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 167087055

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine (CID 176608227) is 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c3-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4sc5ccccc5c34)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine?
The InChIKey is HTLZGVRBKORRFL-HXNXMDRQSA-N. The full InChI is InChI=1S/C60H40N2S/c1-4-17-41(18-5-1)43-31-34-47(35-32-43)61(56-37-33-45(42-19-6-2-7-20-42)40-53(56)44-21-8-3-9-22-44)57-38-36-49(60-59(57)52-27-12-15-30-58(52)63-60)46-23-16-24-48(39-46)62-54-28-13-10-25-50(54)51-26-11-14-29-55(51)62/h1-40H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,17D,18D,19D,20D,21D,22D,31D,32D,33D,34D,35D,37D,40D.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine?
4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine has a molecular weight of 843.20 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 176608227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).