N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine

C36H25N3 — CID 118003465

IUPACN-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4cnc5cccnc5c34)cc2)cc1
InChIInChI=1S/C36H25N3/c1-3-10-26(11-4-1)28-19-21-31(22-20-28)39(32-16-7-14-29(24-32)27-12-5-2-6-13-27)34-18-8-15-30-25-38-33-17-9-23-37-36(33)35(30)34/h1-25H
InChIKeyHDKQNBKZMFRFQZ-UHFFFAOYSA-N
MW499.62 g/mol
LogP9.59
Rot. Bonds5

About N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine

N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine (PubChem CID 118003465) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine
PubChem CID118003465
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC NameN-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4cnc5cccnc5c34)cc2)cc1
InChIInChI=1S/C36H25N3/c1-3-10-26(11-4-1)28-19-21-31(22-20-28)39(32-16-7-14-29(24-32)27-12-5-2-6-13-27)34-18-8-15-30-25-38-33-17-9-23-37-36(33)35(30)34/h1-25H
InChIKeyHDKQNBKZMFRFQZ-UHFFFAOYSA-N
XLogP9.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 59.59
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

N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[h]quinolin-10-amine
CID 118003349
N-(3-benzo[h]quinolin-10-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 118003274
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
CID 58612735
N-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-9-amine
CID 168737884
N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 167171709
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
N-phenyl-N,8-bis(3-phenylphenyl)naphthalen-1-amine
CID 166041816
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 168738271

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine (CID 118003465) is N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4cnc5cccnc5c34)cc2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine?
The InChIKey is HDKQNBKZMFRFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-3-10-26(11-4-1)28-19-21-31(22-20-28)39(32-16-7-14-29(24-32)27-12-5-2-6-13-27)34-18-8-15-30-25-38-33-17-9-23-37-36(33)35(30)34/h1-25H.
What are the key properties of N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine?
N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine has a molecular weight of 499.62 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[c][1,5]naphthyridin-10-amine is sourced from PubChem (CID 118003465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).