9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

C39H33N5 — CID 58663487

IUPAC9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-n2c3c(c4cc(-c5cccc(-c6cnc7c(c6)c6c(n7-c7ccccc7)CCCC6)n5)cnc42)CCCC3)cc1
InChIInChI=1S/C39H33N5/c1-3-12-28(13-4-1)43-36-20-9-7-16-30(36)32-22-26(24-40-38(32)43)34-18-11-19-35(42-34)27-23-33-31-17-8-10-21-37(31)44(39(33)41-25-27)29-14-5-2-6-15-29/h1-6,11-15,18-19,22-25H,7-10,16-17,20-21H2
InChIKeyGLOLKDBBWIWOIJ-UHFFFAOYSA-N
MW571.73 g/mol
LogP8.85
Rot. Bonds4

About 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole

9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (PubChem CID 58663487) has the molecular formula C39H33N5 and a molecular weight of 571.73 g/mol. Its IUPAC name is 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
PubChem CID58663487
Molecular FormulaC39H33N5
Molecular Weight571.73 g/mol
Exact Mass571.27
IUPAC Name9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-n2c3c(c4cc(-c5cccc(-c6cnc7c(c6)c6c(n7-c7ccccc7)CCCC6)n5)cnc42)CCCC3)cc1
InChIInChI=1S/C39H33N5/c1-3-12-28(13-4-1)43-36-20-9-7-16-30(36)32-22-26(24-40-38(32)43)34-18-11-19-35(42-34)27-23-33-31-17-8-10-21-37(31)44(39(33)41-25-27)29-14-5-2-6-15-29/h1-6,11-15,18-19,22-25H,7-10,16-17,20-21H2
InChIKeyGLOLKDBBWIWOIJ-UHFFFAOYSA-N
XLogP8.85
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.73
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole (CID 58663487) is 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is c1ccc(-n2c3c(c4cc(-c5cccc(-c6cnc7c(c6)c6c(n7-c7ccccc7)CCCC6)n5)cnc42)CCCC3)cc1.
What is the InChIKey of 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The InChIKey is GLOLKDBBWIWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N5/c1-3-12-28(13-4-1)43-36-20-9-7-16-30(36)32-22-26(24-40-38(32)43)34-18-11-19-35(42-34)27-23-33-31-17-8-10-21-37(31)44(39(33)41-25-27)29-14-5-2-6-15-29/h1-6,11-15,18-19,22-25H,7-10,16-17,20-21H2.
What are the key properties of 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole?
9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole has a molecular weight of 571.73 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[6-(9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 58663487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).