9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole

C31H24N2 — CID 143291588

IUPAC9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
SMILESCc1ccc(-c2ccc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc2)cc1
InChIInChI=1S/C31H24N2/c1-22-6-12-25(13-7-22)26-14-8-23(9-15-26)20-24-10-16-27(17-11-24)33-30-5-3-2-4-28(30)29-18-19-32-21-31(29)33/h2-19,21H,20H2,1H3
InChIKeyIACHRKLMBCGNBJ-UHFFFAOYSA-N
MW424.55 g/mol
LogP7.74
Rot. Bonds4

About 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole

9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole (PubChem CID 143291588) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
PubChem CID143291588
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole
SMILESCc1ccc(-c2ccc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc2)cc1
InChIInChI=1S/C31H24N2/c1-22-6-12-25(13-7-22)26-14-8-23(9-15-26)20-24-10-16-27(17-11-24)33-30-5-3-2-4-28(30)29-18-19-32-21-31(29)33/h2-19,21H,20H2,1H3
InChIKeyIACHRKLMBCGNBJ-UHFFFAOYSA-N
XLogP7.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
CID 59344150
8-[4-[(4-carbazol-9-ylphenyl)methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344139
8-[4-(4-methylphenyl)phenyl]-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143216225
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
CID 146506354
8-[4-[[4-[[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59344142
9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 122425211
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
9-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]pyrido[3,4-b]indole
CID 58750621

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole?
The IUPAC name of 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole (CID 143291588) is 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole.
What is the SMILES notation for 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole?
The canonical SMILES for 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole is Cc1ccc(-c2ccc(Cc3ccc(-n4c5ccccc5c5ccncc54)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole?
The InChIKey is IACHRKLMBCGNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-22-6-12-25(13-7-22)26-14-8-23(9-15-26)20-24-10-16-27(17-11-24)33-30-5-3-2-4-28(30)29-18-19-32-21-31(29)33/h2-19,21H,20H2,1H3.
What are the key properties of 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole?
9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole has a molecular weight of 424.55 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]pyrido[3,4-b]indole is sourced from PubChem (CID 143291588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).