9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole

C40H22N4O2 — CID 59147213

IUPAC9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2oc3cc4oc5ccc(-n6c7ccccc7c7cccnc76)cc5c4cc3c2c1
InChIInChI=1S/C40H22N4O2/c1-3-11-33-25(7-1)27-9-5-17-41-39(27)43(33)23-13-15-35-29(19-23)31-21-32-30-20-24(14-16-36(30)46-38(32)22-37(31)45-35)44-34-12-4-2-8-26(34)28-10-6-18-42-40(28)44/h1-22H
InChIKeyZLBRLKVVKFVMLS-UHFFFAOYSA-N
MW590.64 g/mol
LogP10.47
Rot. Bonds2

About 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole

9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole (PubChem CID 59147213) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole
PubChem CID59147213
Molecular FormulaC40H22N4O2
Molecular Weight590.64 g/mol
Exact Mass590.17
IUPAC Name9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc2oc3cc4oc5ccc(-n6c7ccccc7c7cccnc76)cc5c4cc3c2c1
InChIInChI=1S/C40H22N4O2/c1-3-11-33-25(7-1)27-9-5-17-41-39(27)43(33)23-13-15-35-29(19-23)31-21-32-30-20-24(14-16-36(30)46-38(32)22-37(31)45-35)44-34-12-4-2-8-26(34)28-10-6-18-42-40(28)44/h1-22H
InChIKeyZLBRLKVVKFVMLS-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[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole (CID 59147213) is 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc2oc3cc4oc5ccc(-n6c7ccccc7c7cccnc76)cc5c4cc3c2c1.
What is the InChIKey of 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole?
The InChIKey is ZLBRLKVVKFVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c1-3-11-33-25(7-1)27-9-5-17-41-39(27)43(33)23-13-15-35-29(19-23)31-21-32-30-20-24(14-16-36(30)46-38(32)22-37(31)45-35)44-34-12-4-2-8-26(34)28-10-6-18-42-40(28)44/h1-22H.
What are the key properties of 9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole?
9-(18-pyrido[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-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[2,3-b]indol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 59147213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).