1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole

C54H36N2 — CID 169012272

IUPAC1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c([2H])c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H36N2/c1-4-14-37(15-5-1)39-26-30-44(31-27-39)55-52-33-29-43(36-49(52)54-46(23-13-25-53(54)55)40-18-8-3-9-19-40)42-28-32-51-48(35-42)47-22-10-11-24-50(47)56(51)45-21-12-20-41(34-45)38-16-6-2-7-17-38/h1-36H/i10D,11D,22D,24D,28D,32D,35D
InChIKeyLJANYRICPYNQPK-BWCNJJNWSA-N
MW719.94 g/mol
LogP14.55
Rot. Bonds6

About 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole

1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 169012272) has the molecular formula C54H36N2 and a molecular weight of 719.94 g/mol. Its IUPAC name is 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID169012272
Molecular FormulaC54H36N2
Molecular Weight719.94 g/mol
Exact Mass719.33
IUPAC Name1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c([2H])c1n2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C54H36N2/c1-4-14-37(15-5-1)39-26-30-44(31-27-39)55-52-33-29-43(36-49(52)54-46(23-13-25-53(54)55)40-18-8-3-9-19-40)42-28-32-51-48(35-42)47-22-10-11-24-50(47)56(51)45-21-12-20-41(34-45)38-16-6-2-7-17-38/h1-36H/i10D,11D,22D,24D,28D,32D,35D
InChIKeyLJANYRICPYNQPK-BWCNJJNWSA-N
XLogP14.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.94
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-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

1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 169012084
1,2,3,4,5,7,8-heptadeuterio-6-[5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 169011944
1,2,3,4,5,7,8-heptadeuterio-6-(5,9-diphenylcarbazol-3-yl)-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169012054
1,2,3,4,5,7,8-heptadeuterio-9-[4-(9-phenylfluoren-9-yl)phenyl]-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011726
1,2,4-trideuterio-5,9-bis(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012061
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazole
CID 171458260
1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012275
1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906
1,2,3,4,5,7,8-heptadeuterio-6-(9-dibenzothiophen-2-yl-5-phenylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole
CID 169012025
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 169012283
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 177280548

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 169012272) is 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c(-c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccc(-c4ccccc4)cc3)c([2H])c([2H])c1n2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is LJANYRICPYNQPK-BWCNJJNWSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-14-37(15-5-1)39-26-30-44(31-27-39)55-52-33-29-43(36-49(52)54-46(23-13-25-53(54)55)40-18-8-3-9-19-40)42-28-32-51-48(35-42)47-22-10-11-24-50(47)56(51)45-21-12-20-41(34-45)38-16-6-2-7-17-38/h1-36H/i10D,11D,22D,24D,28D,32D,35D.
What are the key properties of 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 719.94 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 169012272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).