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

C45H30N6 — CID 144612649

IUPAC8-(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
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3ncccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cc3)c3cccnc23)CC1
InChIInChI=1S/C45H30N6/c1-3-10-37-34(8-1)43-40(12-5-25-46-43)49(37)31-19-15-29(16-20-31)30-17-21-32(22-18-30)50-39-24-23-33(28-36(39)45-42(50)14-7-27-48-45)51-38-11-4-2-9-35(38)44-41(51)13-6-26-47-44/h1-3,5-10,12-28H,4,11H2
InChIKeyDDZFPXZHUVSDRK-UHFFFAOYSA-N
MW654.78 g/mol
LogP10.64
Rot. Bonds4

About 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

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 (PubChem CID 144612649) has the molecular formula C45H30N6 and a molecular weight of 654.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID144612649
Molecular FormulaC45H30N6
Molecular Weight654.78 g/mol
Exact Mass654.25
IUPAC Name8-(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
SMILESC1=Cc2c(n(-c3ccc4c(c3)c3ncccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cc3)c3cccnc23)CC1
InChIInChI=1S/C45H30N6/c1-3-10-37-34(8-1)43-40(12-5-25-46-43)49(37)31-19-15-29(16-20-31)30-17-21-32(22-18-30)50-39-24-23-33(28-36(39)45-42(50)14-7-27-48-45)51-38-11-4-2-9-35(38)44-41(51)13-6-26-47-44/h1-3,5-10,12-28H,4,11H2
InChIKeyDDZFPXZHUVSDRK-UHFFFAOYSA-N
XLogP10.64
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.78
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-[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-(3,4-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147276427
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
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
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
5-[3-[3-(8,9-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[3,2-b]indole
CID 154556268
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 130184110
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2c(n(-c3ccc4c(c3)c3ncccc3n4-c3ccc(-c4ccc(-n5c6ccccc6c6ncccc65)cc4)cc3)c3cccnc23)CC1.
What is the InChIKey of 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?
The InChIKey is DDZFPXZHUVSDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N6/c1-3-10-37-34(8-1)43-40(12-5-25-46-43)49(37)31-19-15-29(16-20-31)30-17-21-32(22-18-30)50-39-24-23-33(28-36(39)45-42(50)14-7-27-48-45)51-38-11-4-2-9-35(38)44-41(51)13-6-26-47-44/h1-3,5-10,12-28H,4,11H2.
What are the key properties of 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?
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 has a molecular weight of 654.78 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144612649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).