5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

C29H22N4 — CID 143647877

IUPAC5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESCC1CC=Cc2c1c1ncccc1n2-c1cccc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C29H22N4/c1-19-8-4-13-24-27(19)29-26(15-7-17-31-29)33(24)21-10-5-9-20(18-21)32-23-12-3-2-11-22(23)28-25(32)14-6-16-30-28/h2-7,9-19H,8H2,1H3
InChIKeyFAJXLIRXNKYNDW-UHFFFAOYSA-N
MW426.52 g/mol
LogP7.04
Rot. Bonds2

About 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole

5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 143647877) has the molecular formula C29H22N4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
PubChem CID143647877
Molecular FormulaC29H22N4
Molecular Weight426.52 g/mol
Exact Mass426.18
IUPAC Name5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
SMILESCC1CC=Cc2c1c1ncccc1n2-c1cccc(-n2c3ccccc3c3ncccc32)c1
InChIInChI=1S/C29H22N4/c1-19-8-4-13-24-27(19)29-26(15-7-17-31-29)33(24)21-10-5-9-20(18-21)32-23-12-3-2-11-22(23)28-25(32)14-6-16-30-28/h2-7,9-19H,8H2,1H3
InChIKeyFAJXLIRXNKYNDW-UHFFFAOYSA-N
XLogP7.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
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
2-tert-butyl-5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 67988496
11-methyl-5-phenyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,11-dihydroindolo[2,3-b]carbazole
CID 162362953
3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163632784
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
9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163468163
4,6-dimethyl-9-phenyl-3,4-dihydrocarbazole
CID 144884300
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
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
5-[3-[6-[5-[4-(1,2-dihydropyrido[3,2-b]indol-5-yl)phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[3,2-b]indole
CID 67966056
8-bromo-5-[3-(8-bromopyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 118000291

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole (CID 143647877) is 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is CC1CC=Cc2c1c1ncccc1n2-c1cccc(-n2c3ccccc3c3ncccc32)c1.
What is the InChIKey of 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is FAJXLIRXNKYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4/c1-19-8-4-13-24-27(19)29-26(15-7-17-31-29)33(24)21-10-5-9-20(18-21)32-23-12-3-2-11-22(23)28-25(32)14-6-16-30-28/h2-7,9-19H,8H2,1H3.
What are the key properties of 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole?
5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 426.52 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9-methyl-8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 143647877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).