6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole

C58H58Cl2N2 — CID 164809584

IUPAC6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole
SMILESCC(C)(C)c1cc(-c2ccc(-c3c4[nH]c5ccccc5c4c(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4Cl)c4[nH]c5ccccc5c34)c(Cl)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C58H58Cl2N2/c1-55(2,3)37-25-35(26-38(31-37)56(4,5)6)33-21-23-41(45(59)29-33)49-51-43-17-13-15-19-47(43)62-54(51)50(52-44-18-14-16-20-48(44)61-53(49)52)42-24-22-34(30-46(42)60)36-27-39(57(7,8)9)32-40(28-36)58(10,11)12/h13-32,61-62H,1-12H3
InChIKeyOUFLDTROKNJGKF-UHFFFAOYSA-N
MW854.02 g/mol
LogP18.12
Rot. Bonds4

About 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole

6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole (PubChem CID 164809584) has the molecular formula C58H58Cl2N2 and a molecular weight of 854.02 g/mol. Its IUPAC name is 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole
PubChem CID164809584
Molecular FormulaC58H58Cl2N2
Molecular Weight854.02 g/mol
Exact Mass852.40
IUPAC Name6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole
SMILESCC(C)(C)c1cc(-c2ccc(-c3c4[nH]c5ccccc5c4c(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4Cl)c4[nH]c5ccccc5c34)c(Cl)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C58H58Cl2N2/c1-55(2,3)37-25-35(26-38(31-37)56(4,5)6)33-21-23-41(45(59)29-33)49-51-43-17-13-15-19-47(43)62-54(51)50(52-44-18-14-16-20-48(44)61-53(49)52)42-24-22-34(30-46(42)60)36-27-39(57(7,8)9)32-40(28-36)58(10,11)12/h13-32,61-62H,1-12H3
InChIKeyOUFLDTROKNJGKF-UHFFFAOYSA-N
XLogP18.12
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.02
LogP ≤ 518.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]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

3,6-bis(3,5-ditert-butylphenyl)-9H-carbazole
CID 137368303
CID 171749657
CID 171749657
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089
6,11-diphenyl-5H-benzo[b]carbazole
CID 10785338
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
CID 155081196
5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 175982941
1-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-2,6-diphenylanthracene-9,10-diamine
CID 175098676
3-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-2-(4-tert-butylphenyl)-1H-benzo[f]indole
CID 177289637
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
4-(6-phenyl-5,11-dihydroindolo[3,2-b]carbazol-12-yl)-3-(trifluoromethyl)benzonitrile
CID 122431307
1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene
CID 176589286

Frequently Asked Questions

What is the IUPAC name of 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole (CID 164809584) is 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole is CC(C)(C)c1cc(-c2ccc(-c3c4[nH]c5ccccc5c4c(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4Cl)c4[nH]c5ccccc5c34)c(Cl)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole?
The InChIKey is OUFLDTROKNJGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H58Cl2N2/c1-55(2,3)37-25-35(26-38(31-37)56(4,5)6)33-21-23-41(45(59)29-33)49-51-43-17-13-15-19-47(43)62-54(51)50(52-44-18-14-16-20-48(44)61-53(49)52)42-24-22-34(30-46(42)60)36-27-39(57(7,8)9)32-40(28-36)58(10,11)12/h13-32,61-62H,1-12H3.
What are the key properties of 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole?
6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole has a molecular weight of 854.02 g/mol, XLogP of 18.12, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis[2-chloro-4-(3,5-ditert-butylphenyl)phenyl]-5,11-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 164809584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).