3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole

C44H34N4 — CID 163746535

IUPAC3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole
SMILESCC1C=Cc2c(c3ccncc3n2-c2ccc(-c3ccc(-n4c5c(c6ccccc64)CC(C)N=C5)c4ccccc34)c3ccccc23)C1
InChIInChI=1S/C44H34N4/c1-27-15-18-42-37(23-27)36-21-22-45-25-43(36)48(42)41-20-17-32(30-10-4-6-12-34(30)41)31-16-19-40(33-11-5-3-9-29(31)33)47-39-14-8-7-13-35(39)38-24-28(2)46-26-44(38)47/h3-22,25-28H,23-24H2,1-2H3
InChIKeyLMJCAPWXNWHHBK-UHFFFAOYSA-N
MW618.78 g/mol
LogP10.51
Rot. Bonds3

About 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole

3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole (PubChem CID 163746535) has the molecular formula C44H34N4 and a molecular weight of 618.78 g/mol. Its IUPAC name is 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole.

Molecular Properties

Compound Name3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole
PubChem CID163746535
Molecular FormulaC44H34N4
Molecular Weight618.78 g/mol
Exact Mass618.28
IUPAC Name3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole
SMILESCC1C=Cc2c(c3ccncc3n2-c2ccc(-c3ccc(-n4c5c(c6ccccc64)CC(C)N=C5)c4ccccc34)c3ccccc23)C1
InChIInChI=1S/C44H34N4/c1-27-15-18-42-37(23-27)36-21-22-45-25-43(36)48(42)41-20-17-32(30-10-4-6-12-34(30)41)31-16-19-40(33-11-5-3-9-29(31)33)47-39-14-8-7-13-35(39)38-24-28(2)46-26-44(38)47/h3-22,25-28H,23-24H2,1-2H3
InChIKeyLMJCAPWXNWHHBK-UHFFFAOYSA-N
XLogP10.51
TPSA35.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-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

9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
3-methyl-3,4-dihydrocarbazol-9-amine
CID 174255238
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 163872016
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile
CID 163708431
5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 160666217
3-(3,4-dihydropyrido[3,4-b]indol-9-yl)-5-(5,6-dihydropyrido[3,4-b]indol-9-yl)benzonitrile
CID 166777800
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole
CID 176634699
9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
CID 167285063

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole?
The IUPAC name of 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole (CID 163746535) is 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole.
What is the SMILES notation for 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole?
The canonical SMILES for 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole is CC1C=Cc2c(c3ccncc3n2-c2ccc(-c3ccc(-n4c5c(c6ccccc64)CC(C)N=C5)c4ccccc34)c3ccccc23)C1.
What is the InChIKey of 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole?
The InChIKey is LMJCAPWXNWHHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4/c1-27-15-18-42-37(23-27)36-21-22-45-25-43(36)48(42)41-20-17-32(30-10-4-6-12-34(30)41)31-16-19-40(33-11-5-3-9-29(31)33)47-39-14-8-7-13-35(39)38-24-28(2)46-26-44(38)47/h3-22,25-28H,23-24H2,1-2H3.
What are the key properties of 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole?
3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole has a molecular weight of 618.78 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-[4-(6-methyl-5,6-dihydropyrido[3,4-b]indol-9-yl)naphthalen-1-yl]naphthalen-1-yl]-3,4-dihydropyrido[3,4-b]indole is sourced from PubChem (CID 163746535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).