7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline

C39H25N3 — CID 89342106

IUPAC7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline
SMILESc1ccc(-c2c3cc(-c4cccc(-c5ccncc5)n4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1
InChIInChI=1S/C39H25N3/c1-3-9-27(10-4-1)36-32-19-16-29-13-8-22-41-39(29)38(32)37(28-11-5-2-6-12-28)31-18-17-30(25-33(31)36)35-15-7-14-34(42-35)26-20-23-40-24-21-26/h1-25H
InChIKeyMMKOVQUEHBDTSC-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline

7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline (PubChem CID 89342106) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline.

Molecular Properties

Compound Name7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline
PubChem CID89342106
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline
SMILESc1ccc(-c2c3cc(-c4cccc(-c5ccncc5)n4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1
InChIInChI=1S/C39H25N3/c1-3-9-27(10-4-1)36-32-19-16-29-13-8-22-41-39(29)38(32)37(28-11-5-2-6-12-28)31-18-17-30(25-33(31)36)35-15-7-14-34(42-35)26-20-23-40-24-21-26/h1-25H
InChIKeyMMKOVQUEHBDTSC-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342054
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
CID 139407490
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
15-phenyl-19-(10-pyridin-4-ylanthracen-9-yl)-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 129037760
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-(4-pyridin-4-ylphenyl)pyridine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-2-ylphenyl)pyrimidine;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4-(4-pyridin-3-ylphenyl)pyrimidine
CID 167563167
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356

Frequently Asked Questions

What is the IUPAC name of 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline?
The IUPAC name of 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline (CID 89342106) is 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline.
What is the SMILES notation for 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline?
The canonical SMILES for 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline is c1ccc(-c2c3cc(-c4cccc(-c5ccncc5)n4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1.
What is the InChIKey of 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline?
The InChIKey is MMKOVQUEHBDTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-3-9-27(10-4-1)36-32-19-16-29-13-8-22-41-39(29)38(32)37(28-11-5-2-6-12-28)31-18-17-30(25-33(31)36)35-15-7-14-34(42-35)26-20-23-40-24-21-26/h1-25H.
What are the key properties of 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline?
7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline is sourced from PubChem (CID 89342106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).