5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole

C34H24N4 — CID 147276427

IUPAC5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
SMILESC1=Nc2c(n(-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C34H24N4/c1-3-9-29-27(7-1)33-31(11-5-21-35-33)37(29)25-17-13-23(14-18-25)24-15-19-26(20-16-24)38-30-10-4-2-8-28(30)34-32(38)12-6-22-36-34/h1-5,7-11,13-22H,6,12H2
InChIKeyCRLNAFTUAGSVLY-UHFFFAOYSA-N
MW488.59 g/mol
LogP8.44
Rot. Bonds3

About 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole

5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole (PubChem CID 147276427) has the molecular formula C34H24N4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
PubChem CID147276427
Molecular FormulaC34H24N4
Molecular Weight488.59 g/mol
Exact Mass488.20
IUPAC Name5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
SMILESC1=Nc2c(n(-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cc3)c3ccccc23)CC1
InChIInChI=1S/C34H24N4/c1-3-9-29-27(7-1)33-31(11-5-21-35-33)37(29)25-17-13-23(14-18-25)24-15-19-26(20-16-24)38-30-10-4-2-8-28(30)34-32(38)12-6-22-36-34/h1-5,7-11,13-22H,6,12H2
InChIKeyCRLNAFTUAGSVLY-UHFFFAOYSA-N
XLogP8.44
TPSA35.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
8-(6,7-dihydropyrido[3,2-b]indol-5-yl)-5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
CID 144612649
8-[16-[16-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158177526
8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 69285118
8-[4-[4-(8-pyrido[3,2-b]indol-5-ylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 118517438
5-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 142725070
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-methyl-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 144976361
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 129221390
5-pyridin-3-ylpyrido[3,2-b]indole
CID 59459758
8-[9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587644

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole (CID 147276427) is 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole is C1=Nc2c(n(-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cc3)c3ccccc23)CC1.
What is the InChIKey of 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole?
The InChIKey is CRLNAFTUAGSVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4/c1-3-9-29-27(7-1)33-31(11-5-21-35-33)37(29)25-17-13-23(14-18-25)24-15-19-26(20-16-24)38-30-10-4-2-8-28(30)34-32(38)12-6-22-36-34/h1-5,7-11,13-22H,6,12H2.
What are the key properties of 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole?
5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole has a molecular weight of 488.59 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 147276427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).