8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole

C40H34N4 — CID 58947239

IUPAC8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
SMILESCCC(C)c1ccc2c(c1)c1ncccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ncccc43)cc2C)c(C)c1
InChIInChI=1S/C40H34N4/c1-5-25(2)28-14-19-36-34(24-28)40-38(13-9-21-42-40)44(36)30-16-18-32(27(4)23-30)31-17-15-29(22-26(31)3)43-35-11-7-6-10-33(35)39-37(43)12-8-20-41-39/h6-25H,5H2,1-4H3
InChIKeyMSFCANJNJXOOOV-UHFFFAOYSA-N
MW570.74 g/mol
LogP10.47
Rot. Bonds5

About 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole

8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole (PubChem CID 58947239) has the molecular formula C40H34N4 and a molecular weight of 570.74 g/mol. Its IUPAC name is 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
PubChem CID58947239
Molecular FormulaC40H34N4
Molecular Weight570.74 g/mol
Exact Mass570.28
IUPAC Name8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
SMILESCCC(C)c1ccc2c(c1)c1ncccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ncccc43)cc2C)c(C)c1
InChIInChI=1S/C40H34N4/c1-5-25(2)28-14-19-36-34(24-28)40-38(13-9-21-42-40)44(36)30-16-18-32(27(4)23-30)31-17-15-29(22-26(31)3)43-35-11-7-6-10-33(35)39-37(43)12-8-20-41-39/h6-25H,5H2,1-4H3
InChIKeyMSFCANJNJXOOOV-UHFFFAOYSA-N
XLogP10.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole with MolForge

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Related Compounds

8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole
CID 118245939
3-butan-2-yl-9-phenylcarbazole
CID 23520668
5-[3-methyl-4-[2-methyl-4-(8-propylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-8-propylpyrido[4,3-b]indole;propane
CID 145317705
9-[3-methyl-4-(1,10-phenanthrolin-5-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 130353917
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole
CID 59344123
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-phenyl-9-[3-[3-(3-phenylcarbazol-9-yl)phenyl]phenyl]carbazole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole;8-[3-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158224588
5-[4,6-di(imidazol-1-yl)-1,3,5-triazin-2-yl]pyrido[3,2-b]indole;8-[3-methyl-4-[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-phenyl-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 159516178
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
iridium(3+);5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-8-[7-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-3-yl]-5-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]octan-3-yl]pyrido[3,2-b]indole;5-methyl-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 59196729
5-[3-(4-methyl-2-propan-2-ylpentyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 147714064
5-[3,5-bis(ethenyl)phenyl]-8-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)pyrido[3,2-b]indole
CID 134274167

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole (CID 58947239) is 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole is CCC(C)c1ccc2c(c1)c1ncccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ncccc43)cc2C)c(C)c1.
What is the InChIKey of 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole?
The InChIKey is MSFCANJNJXOOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4/c1-5-25(2)28-14-19-36-34(24-28)40-38(13-9-21-42-40)44(36)30-16-18-32(27(4)23-30)31-17-15-29(22-26(31)3)43-35-11-7-6-10-33(35)39-37(43)12-8-20-41-39/h6-25H,5H2,1-4H3.
What are the key properties of 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole?
8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole has a molecular weight of 570.74 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 58947239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).