9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole

C40H25N5 — CID 59609495

IUPAC9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)ccc1cc(-c3cc(-c4cncc(-n5c6ccccc6c6cccnc65)c4)cc(-c4ccncc4)n3)ccc12
InChIInChI=1S/C40H25N5/c1-2-7-33-26(6-1)11-12-28-20-29(13-14-34(28)33)38-23-30(22-37(44-38)27-15-18-41-19-16-27)31-21-32(25-42-24-31)45-39-10-4-3-8-35(39)36-9-5-17-43-40(36)45/h1-25H
InChIKeyTXLPEBCGBMXZGV-UHFFFAOYSA-N
MW575.68 g/mol
LogP9.67
Rot. Bonds4

About 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole

9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole (PubChem CID 59609495) has the molecular formula C40H25N5 and a molecular weight of 575.68 g/mol. Its IUPAC name is 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole
PubChem CID59609495
Molecular FormulaC40H25N5
Molecular Weight575.68 g/mol
Exact Mass575.21
IUPAC Name9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole
SMILESc1ccc2c(c1)ccc1cc(-c3cc(-c4cncc(-n5c6ccccc6c6cccnc65)c4)cc(-c4ccncc4)n3)ccc12
InChIInChI=1S/C40H25N5/c1-2-7-33-26(6-1)11-12-28-20-29(13-14-34(28)33)38-23-30(22-37(44-38)27-15-18-41-19-16-27)31-21-32(25-42-24-31)45-39-10-4-3-8-35(39)36-9-5-17-43-40(36)45/h1-25H
InChIKeyTXLPEBCGBMXZGV-UHFFFAOYSA-N
XLogP9.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole with MolForge

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Launch Full Analysis

Related Compounds

5-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59326078
5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-phenanthren-2-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 158284584
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
CID 121422859
5-[4-pyridin-3-yl-6-[7-(4-pyridin-3-yl-6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenanthren-2-yl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59609575
9-[4-[4-phenanthren-9-yl-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 59326049
9-[4-[2-pyridin-2-yl-6-[10-(trifluoromethyl)phenanthren-2-yl]-4-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 59325979
9-[4-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 58099080
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
9-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221619
9-[5-[2-(10-isocyanoanthracen-9-yl)-6-pyridin-4-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole
CID 59609462
5-[6-[4-(4-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole;9-[6-[2-(4-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[2,3-b]indole;5-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole;9-[5-(2-phenyl-6-pyridin-3-yl-4-pyridinyl)-3-pyridinyl]pyrido[3,4-b]indole
CID 160549883
9-[6-[6-(6-phenanthren-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480401

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole (CID 59609495) is 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole is c1ccc2c(c1)ccc1cc(-c3cc(-c4cncc(-n5c6ccccc6c6cccnc65)c4)cc(-c4ccncc4)n3)ccc12.
What is the InChIKey of 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole?
The InChIKey is TXLPEBCGBMXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5/c1-2-7-33-26(6-1)11-12-28-20-29(13-14-34(28)33)38-23-30(22-37(44-38)27-15-18-41-19-16-27)31-21-32(25-42-24-31)45-39-10-4-3-8-35(39)36-9-5-17-43-40(36)45/h1-25H.
What are the key properties of 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole?
9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole has a molecular weight of 575.68 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole is sourced from PubChem (CID 59609495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).