3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline

C45H29N3 — CID 155765276

IUPAC3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline
SMILESc1ccc(-c2ccc(-c3cc4ccc5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cnc5c4c4ncccc34)cc2)cc1
InChIInChI=1S/C45H29N3/c1-4-11-30(12-5-1)32-18-20-33(21-19-32)40-26-35-22-23-36-25-38(29-47-44(36)43(35)45-39(40)17-10-24-46-45)42-28-37(31-13-6-2-7-14-31)27-41(48-42)34-15-8-3-9-16-34/h1-29H
InChIKeyXHGOWBJKXIMGCS-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.67
Rot. Bonds5

About 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline

3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline (PubChem CID 155765276) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline.

Molecular Properties

Compound Name3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline
PubChem CID155765276
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline
SMILESc1ccc(-c2ccc(-c3cc4ccc5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cnc5c4c4ncccc34)cc2)cc1
InChIInChI=1S/C45H29N3/c1-4-11-30(12-5-1)32-18-20-33(21-19-32)40-26-35-22-23-36-25-38(29-47-44(36)43(35)45-39(40)17-10-24-46-45)42-28-37(31-13-6-2-7-14-31)27-41(48-42)34-15-8-3-9-16-34/h1-29H
InChIKeyXHGOWBJKXIMGCS-UHFFFAOYSA-N
XLogP11.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
5-[4-[4-(16-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1,10-phenanthroline
CID 167410663
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 163969080
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043
13-[4-(2,6-diphenyl-4-pyridinyl)phenyl]quinolino[3,4-b][1,10]phenanthroline
CID 170197849

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline?
The IUPAC name of 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline (CID 155765276) is 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline.
What is the SMILES notation for 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline?
The canonical SMILES for 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline is c1ccc(-c2ccc(-c3cc4ccc5cc(-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cnc5c4c4ncccc34)cc2)cc1.
What is the InChIKey of 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline?
The InChIKey is XHGOWBJKXIMGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-4-11-30(12-5-1)32-18-20-33(21-19-32)40-26-35-22-23-36-25-38(29-47-44(36)43(35)45-39(40)17-10-24-46-45)42-28-37(31-13-6-2-7-14-31)27-41(48-42)34-15-8-3-9-16-34/h1-29H.
What are the key properties of 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline?
3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline has a molecular weight of 611.75 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenyl-2-pyridinyl)-8-(4-phenylphenyl)quinolino[7,8-h]quinoline is sourced from PubChem (CID 155765276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).