9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole

C40H22N4O2 — CID 59147045

IUPAC9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole
SMILESc1cc(-n2c3ccccc3c3ccncc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccncc32)cccc14
InChIInChI=1S/C40H22N4O2/c1-3-11-31-23(7-1)25-15-17-41-21-35(25)43(31)33-13-5-9-27-29-19-38-30(20-37(29)45-39(27)33)28-10-6-14-34(40(28)46-38)44-32-12-4-2-8-24(32)26-16-18-42-22-36(26)44/h1-22H
InChIKeyKCTOPSVIZQFQTF-UHFFFAOYSA-N
MW590.64 g/mol
LogP10.47
Rot. Bonds2

About 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole

9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole (PubChem CID 59147045) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole
PubChem CID59147045
Molecular FormulaC40H22N4O2
Molecular Weight590.64 g/mol
Exact Mass590.17
IUPAC Name9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole
SMILESc1cc(-n2c3ccccc3c3ccncc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccncc32)cccc14
InChIInChI=1S/C40H22N4O2/c1-3-11-31-23(7-1)25-15-17-41-21-35(25)43(31)33-13-5-9-27-29-19-38-30(20-37(29)45-39(27)33)28-10-6-14-34(40(28)46-38)44-32-12-4-2-8-24(32)26-16-18-42-22-36(26)44/h1-22H
InChIKeyKCTOPSVIZQFQTF-UHFFFAOYSA-N
XLogP10.47
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole with MolForge

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Related Compounds

9-[18-(18-carbazol-9-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-8-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-8-yl]carbazole
CID 67952828
8-carbazol-9-yl-[1]benzofuro[2,3-b]pyridine;6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
CID 144782335
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 145345257
9-(18-naphthalen-2-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-8-yl)carbazole
CID 59147236
10-dibenzofuran-4-yl-21-oxa-10,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-20-one
CID 118248450
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099526
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-(2-bromo-6-pyrido[3,4-b]indol-9-ylphenyl)pyrido[3,4-b]indole
CID 176634699
6-[2-(2-carbazol-9-ylphenyl)phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155101896
4-[(2-carbazol-9-ylphenyl)methyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 145345484
8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
CID 90090627

Frequently Asked Questions

What is the IUPAC name of 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole?
The IUPAC name of 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole (CID 59147045) is 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole.
What is the SMILES notation for 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole?
The canonical SMILES for 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole is c1cc(-n2c3ccccc3c3ccncc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3ccccc3c3ccncc32)cccc14.
What is the InChIKey of 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole?
The InChIKey is KCTOPSVIZQFQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c1-3-11-31-23(7-1)25-15-17-41-21-35(25)43(31)33-13-5-9-27-29-19-38-30(20-37(29)45-39(27)33)28-10-6-14-34(40(28)46-38)44-32-12-4-2-8-24(32)26-16-18-42-22-36(26)44/h1-22H.
What are the key properties of 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole?
9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole has a molecular weight of 590.64 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(18-pyrido[3,4-b]indol-9-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-8-yl)pyrido[3,4-b]indole is sourced from PubChem (CID 59147045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).