9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole

C28H18N4 — CID 135059762

IUPAC9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3cccnc32)cc1
InChIInChI=1S/C28H18N4/c1-3-11-25-21(7-1)23-9-5-17-29-27(23)31(25)19-13-15-20(16-14-19)32-26-12-4-2-8-22(26)24-10-6-18-30-28(24)32/h1-18H
InChIKeyMTPFPAGRUUMKLU-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.67
Rot. Bonds2

About 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole

9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole (PubChem CID 135059762) has the molecular formula C28H18N4 and a molecular weight of 410.48 g/mol. Its IUPAC name is 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
PubChem CID135059762
Molecular FormulaC28H18N4
Molecular Weight410.48 g/mol
Exact Mass410.15
IUPAC Name9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole
SMILESc1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3cccnc32)cc1
InChIInChI=1S/C28H18N4/c1-3-11-25-21(7-1)23-9-5-17-29-27(23)31(25)19-13-15-20(16-14-19)32-26-12-4-2-8-22(26)24-10-6-18-30-28(24)32/h1-18H
InChIKeyMTPFPAGRUUMKLU-UHFFFAOYSA-N
XLogP6.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole (CID 135059762) is 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole is c1ccc2c(c1)c1cccnc1n2-c1ccc(-n2c3ccccc3c3cccnc32)cc1.
What is the InChIKey of 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
The InChIKey is MTPFPAGRUUMKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4/c1-3-11-25-21(7-1)23-9-5-17-29-27(23)31(25)19-13-15-20(16-14-19)32-26-12-4-2-8-22(26)24-10-6-18-30-28(24)32/h1-18H.
What are the key properties of 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole?
9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole has a molecular weight of 410.48 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-pyrido[2,3-b]indol-9-ylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 135059762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).