N,N-diphenylbenzo[h]isoquinolin-9-amine

C25H18N2 — CID 135257398

IUPACN,N-diphenylbenzo[h]isoquinolin-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccc4ccncc4c3c2)cc1
InChIInChI=1S/C25H18N2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)23-14-13-19-11-12-20-15-16-26-18-25(20)24(19)17-23/h1-18H
InChIKeyRRXIQOCXCNLGPW-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.86
Rot. Bonds3

About N,N-diphenylbenzo[h]isoquinolin-9-amine

N,N-diphenylbenzo[h]isoquinolin-9-amine (PubChem CID 135257398) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N,N-diphenylbenzo[h]isoquinolin-9-amine.

Molecular Properties

Compound NameN,N-diphenylbenzo[h]isoquinolin-9-amine
PubChem CID135257398
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC NameN,N-diphenylbenzo[h]isoquinolin-9-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3ccc4ccncc4c3c2)cc1
InChIInChI=1S/C25H18N2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)23-14-13-19-11-12-20-15-16-26-18-25(20)24(19)17-23/h1-18H
InChIKeyRRXIQOCXCNLGPW-UHFFFAOYSA-N
XLogP6.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,9-phenanthroline
CID 23271029
N,N-diphenyl-9H-pyrido[3,4-b]indol-6-amine
CID 167339450
N-[4-([1]benzothiolo[3,2-c]pyridin-8-yl)phenyl]-N-phenylbenzo[c]phenanthren-2-amine
CID 163968584
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-c]pyridin-8-amine
CID 168737780
2-N,9-N-diphenyl-2-N,9-N-bis(3-phenylphenyl)chrysene-2,9-diamine
CID 170410338
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-isoquinolin-6-ylphenyl)-N-phenylanthracen-2-amine
CID 59211203
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-7-amine
CID 166861466

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylbenzo[h]isoquinolin-9-amine?
The IUPAC name of N,N-diphenylbenzo[h]isoquinolin-9-amine (CID 135257398) is N,N-diphenylbenzo[h]isoquinolin-9-amine.
What is the SMILES notation for N,N-diphenylbenzo[h]isoquinolin-9-amine?
The canonical SMILES for N,N-diphenylbenzo[h]isoquinolin-9-amine is c1ccc(N(c2ccccc2)c2ccc3ccc4ccncc4c3c2)cc1.
What is the InChIKey of N,N-diphenylbenzo[h]isoquinolin-9-amine?
The InChIKey is RRXIQOCXCNLGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)23-14-13-19-11-12-20-15-16-26-18-25(20)24(19)17-23/h1-18H.
What are the key properties of N,N-diphenylbenzo[h]isoquinolin-9-amine?
N,N-diphenylbenzo[h]isoquinolin-9-amine has a molecular weight of 346.43 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylbenzo[h]isoquinolin-9-amine is sourced from PubChem (CID 135257398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).