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

C56H34N8 — CID 59609575

IUPAC5-[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
SMILESc1cncc(-c2cc(-c3ccc4c(ccc5cc(-c6cc(-c7cccnc7)cc(-n7c8ccccc8c8cnccc87)n6)ccc54)c3)nc(-n3c4ccccc4c4cnccc43)c2)c1
InChIInChI=1S/C56H34N8/c1-3-11-51-45(9-1)47-33-59-23-19-53(47)63(51)55-29-41(39-7-5-21-57-31-39)27-49(61-55)37-15-17-43-35(25-37)13-14-36-26-38(16-18-44(36)43)50-28-42(40-8-6-22-58-32-40)30-56(62-50)64-52-12-4-2-10-46(52)48-34-60-24-20-54(48)64/h1-34H
InChIKeyPRGHSKGGQRSTSW-UHFFFAOYSA-N
MW818.94 g/mol
LogP13.23
Rot. Bonds6

About 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

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 (PubChem CID 59609575) has the molecular formula C56H34N8 and a molecular weight of 818.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID59609575
Molecular FormulaC56H34N8
Molecular Weight818.94 g/mol
Exact Mass818.29
IUPAC Name5-[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
SMILESc1cncc(-c2cc(-c3ccc4c(ccc5cc(-c6cc(-c7cccnc7)cc(-n7c8ccccc8c8cnccc87)n6)ccc54)c3)nc(-n3c4ccccc4c4cnccc43)c2)c1
InChIInChI=1S/C56H34N8/c1-3-11-51-45(9-1)47-33-59-23-19-53(47)63(51)55-29-41(39-7-5-21-57-31-39)27-49(61-55)37-15-17-43-35(25-37)13-14-36-26-38(16-18-44(36)43)50-28-42(40-8-6-22-58-32-40)30-56(62-50)64-52-12-4-2-10-46(52)48-34-60-24-20-54(48)64/h1-34H
InChIKeyPRGHSKGGQRSTSW-UHFFFAOYSA-N
XLogP13.23
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 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
9-[6-[6-(6-phenanthren-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59480401
5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59325982
9-[5-[2-(10-naphthalen-2-ylanthracen-9-yl)-6-pyridin-3-yl-4-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole;5-[5-[2-(10-phenylanthracen-9-yl)-6-pyridin-2-yl-4-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 160544614
6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
CID 90336618
5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 58202927
9-[5-(2-phenanthren-2-yl-6-pyridin-4-yl-4-pyridinyl)-3-pyridinyl]pyrido[2,3-b]indole
CID 59609495
5-[6-[6-(3,5-diphenylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
CID 59480357
5-[6-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indole
CID 59480507
9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole
CID 154696964
9-[5-[4-(3-phenylphenyl)-6-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]pyrido[3,4-b]indole
CID 59609470
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cncc(-c2cc(-c3ccc4c(ccc5cc(-c6cc(-c7cccnc7)cc(-n7c8ccccc8c8cnccc87)n6)ccc54)c3)nc(-n3c4ccccc4c4cnccc43)c2)c1.
What is the InChIKey of 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?
The InChIKey is PRGHSKGGQRSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8/c1-3-11-51-45(9-1)47-33-59-23-19-53(47)63(51)55-29-41(39-7-5-21-57-31-39)27-49(61-55)37-15-17-43-35(25-37)13-14-36-26-38(16-18-44(36)43)50-28-42(40-8-6-22-58-32-40)30-56(62-50)64-52-12-4-2-10-46(52)48-34-60-24-20-54(48)64/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 818.94 g/mol, XLogP of 13.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59609575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).