9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole

C34H20N4O — CID 58099586

IUPAC9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole
SMILESc1cc(-n2c3ccccc3c3cccnc32)c2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C34H20N4O/c1-3-13-28-22(8-1)25-11-6-18-35-33(25)37(28)21-16-17-31-27(20-21)24-10-5-15-30(32(24)39-31)38-29-14-4-2-9-23(29)26-12-7-19-36-34(26)38/h1-20H
InChIKeyFUORVCJAOHKHOR-UHFFFAOYSA-N
MW500.56 g/mol
LogP8.57
Rot. Bonds2

About 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole

9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole (PubChem CID 58099586) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole
PubChem CID58099586
Molecular FormulaC34H20N4O
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole
SMILESc1cc(-n2c3ccccc3c3cccnc32)c2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1
InChIInChI=1S/C34H20N4O/c1-3-13-28-22(8-1)25-11-6-18-35-33(25)37(28)21-16-17-31-27(20-21)24-10-5-15-30(32(24)39-31)38-29-14-4-2-9-23(29)26-12-7-19-36-34(26)38/h1-20H
InChIKeyFUORVCJAOHKHOR-UHFFFAOYSA-N
XLogP8.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
1-(1-Benzofuran-2-yl)-2-(5-pyridin-2-yl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141737653
7-(1-Benzofuran-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 172444428
US11673894, Ex. No. 8
CID 139508833
1-Methyl-8-[1-(2-methylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 129021029
1-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]-3-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
CID 134223583
12-[4-(9-Phenylcarbazol-3-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163644610
9-Methyl-9-(16-pyrido[2,3-b]indol-9-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,11,14(19),15,17-octaen-5-yl)pyrido[2,3-b]indol-9-ium
CID 163644770
12-(3,5-Diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-triphenylen-2-yl-[1]benzofuro[2,3-a]carbazole
CID 163646185
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11-phenylbenzo[b]carbazole
CID 163648886
9-[4-Carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163651183
3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-1-methyl-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163656079

Frequently Asked Questions

What is the IUPAC name of 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole (CID 58099586) is 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole is c1cc(-n2c3ccccc3c3cccnc32)c2oc3ccc(-n4c5ccccc5c5cccnc54)cc3c2c1.
What is the InChIKey of 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
The InChIKey is FUORVCJAOHKHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c1-3-13-28-22(8-1)25-11-6-18-35-33(25)37(28)21-16-17-31-27(20-21)24-10-5-15-30(32(24)39-31)38-29-14-4-2-9-23(29)26-12-7-19-36-34(26)38/h1-20H.
What are the key properties of 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole?
9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole has a molecular weight of 500.56 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 58099586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).