5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole

C37H32N4O — CID 163771850

IUPAC5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole
SMILESCCC1/C=C\C=C/Cc2cc(-n3c4c(c5ncccc53)C(C)CC=C4)cc(-n3c4ccccc4c4ncccc43)c2O1
InChIInChI=1S/C37H32N4O/c1-3-27-14-6-4-5-13-25-22-26(40-30-17-9-12-24(2)34(30)36-32(40)19-11-21-39-36)23-33(37(25)42-27)41-29-16-8-7-15-28(29)35-31(41)18-10-20-38-35/h4-11,14-24,27H,3,12-13H2,1-2H3/b5-4-,14-6-
InChIKeyMHCQPIXJZNZZBQ-UUEBSLNCSA-N
MW548.69 g/mol
LogP8.86
Rot. Bonds3

About 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole

5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole (PubChem CID 163771850) has the molecular formula C37H32N4O and a molecular weight of 548.69 g/mol. Its IUPAC name is 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole
PubChem CID163771850
Molecular FormulaC37H32N4O
Molecular Weight548.69 g/mol
Exact Mass548.26
IUPAC Name5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole
SMILESCCC1/C=C\C=C/Cc2cc(-n3c4c(c5ncccc53)C(C)CC=C4)cc(-n3c4ccccc4c4ncccc43)c2O1
InChIInChI=1S/C37H32N4O/c1-3-27-14-6-4-5-13-25-22-26(40-30-17-9-12-24(2)34(30)36-32(40)19-11-21-39-36)23-33(37(25)42-27)41-29-16-8-7-15-28(29)35-31(41)18-10-20-38-35/h4-11,14-24,27H,3,12-13H2,1-2H3/b5-4-,14-6-
InChIKeyMHCQPIXJZNZZBQ-UUEBSLNCSA-N
XLogP8.86
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole 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

5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 143647877
3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163632784
5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole
CID 147120905
9-dibenzofuran-4-yl-3-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 159339879
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325
9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 139397505
9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163468163
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
5-[5-tert-butyl-3-[4-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]phenyl]pyrido[3,2-b]indole
CID 143599049
4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300
4-[2-(6-methyl-6,7-dihydropyrido[3,2-b]indol-5-yl)-9-[4-(N-phenylanilino)phenyl]-7-pyrido[3,2-b]indol-5-ylfluoren-9-yl]-N,N-diphenylaniline
CID 163760927

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole (CID 163771850) is 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole is CCC1/C=C\C=C/Cc2cc(-n3c4c(c5ncccc53)C(C)CC=C4)cc(-n3c4ccccc4c4ncccc43)c2O1.
What is the InChIKey of 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole?
The InChIKey is MHCQPIXJZNZZBQ-UUEBSLNCSA-N. The full InChI is InChI=1S/C37H32N4O/c1-3-27-14-6-4-5-13-25-22-26(40-30-17-9-12-24(2)34(30)36-32(40)19-11-21-39-36)23-33(37(25)42-27)41-29-16-8-7-15-28(29)35-31(41)18-10-20-38-35/h4-11,14-24,27H,3,12-13H2,1-2H3/b5-4-,14-6-.
What are the key properties of 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole?
5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole has a molecular weight of 548.69 g/mol, XLogP of 8.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3Z,5Z)-2-ethyl-9-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)-2,7-dihydro-1-benzoxonin-11-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 163771850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).