[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine

C50H36N2 — CID 121441204

IUPAC[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C50H36N2/c51-33-34-15-17-37(18-16-34)40-23-29-43(30-24-40)49-32-47(42-27-21-39(22-28-42)36-11-5-2-6-12-36)48-31-46(44-13-7-8-14-45(44)50(48)52-49)41-25-19-38(20-26-41)35-9-3-1-4-10-35/h1-32H,33,51H2
InChIKeyGCQDEVVUFPQAIV-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.85
Rot. Bonds7

About [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine

[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine (PubChem CID 121441204) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine
PubChem CID121441204
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C50H36N2/c51-33-34-15-17-37(18-16-34)40-23-29-43(30-24-40)49-32-47(42-27-21-39(22-28-42)36-11-5-2-6-12-36)48-31-46(44-13-7-8-14-45(44)50(48)52-49)41-25-19-38(20-26-41)35-9-3-1-4-10-35/h1-32H,33,51H2
InChIKeyGCQDEVVUFPQAIV-UHFFFAOYSA-N
XLogP12.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 512.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836420
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-bis(4-phenylphenyl)benzo[h]quinoline
CID 157403455
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6-diphenylbenzo[h]quinoline
CID 162043416
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913
2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline;2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 158566258
4,6-diphenyl-2-(4-pyridin-3-ylphenyl)benzo[h]quinoline;4,6-diphenyl-2-(4-pyridin-4-ylphenyl)benzo[h]quinoline
CID 159526499
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine?
The IUPAC name of [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine (CID 121441204) is [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine.
What is the SMILES notation for [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine?
The canonical SMILES for [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine is NCc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6ccccc6)cc5)c5ccccc5c4n3)cc2)cc1.
What is the InChIKey of [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine?
The InChIKey is GCQDEVVUFPQAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c51-33-34-15-17-37(18-16-34)40-23-29-43(30-24-40)49-32-47(42-27-21-39(22-28-42)36-11-5-2-6-12-36)48-31-46(44-13-7-8-14-45(44)50(48)52-49)41-25-19-38(20-26-41)35-9-3-1-4-10-35/h1-32H,33,51H2.
What are the key properties of [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine?
[4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine has a molecular weight of 664.85 g/mol, XLogP of 12.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]phenyl]methanamine is sourced from PubChem (CID 121441204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).