1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine

C52H36N2 — CID 166917482

IUPAC1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C52H36N2/c1-3-16-43(17-4-1)53(45-30-27-38(28-31-45)42-26-23-37-13-7-8-15-41(37)35-42)51-33-34-52(49-22-12-11-21-48(49)51)54(44-18-5-2-6-19-44)46-32-29-40-25-24-39-14-9-10-20-47(39)50(40)36-46/h1-36H
InChIKeyUYCOMPHVRNHUAV-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.91
Rot. Bonds7

About 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine

1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine (PubChem CID 166917482) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
PubChem CID166917482
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C52H36N2/c1-3-16-43(17-4-1)53(45-30-27-38(28-31-45)42-26-23-37-13-7-8-15-41(37)35-42)51-33-34-52(49-22-12-11-21-48(49)51)54(44-18-5-2-6-19-44)46-32-29-40-25-24-39-14-9-10-20-47(39)50(40)36-46/h1-36H
InChIKeyUYCOMPHVRNHUAV-UHFFFAOYSA-N
XLogP14.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.91
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

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CID 170135464
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CID 167272714
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100436
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CID 164747948
N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292209
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N-(4-naphthalen-2-ylphenyl)-N-phenylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-7-amine
CID 177100103
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CID 155303616
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine?
The IUPAC name of 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine (CID 166917482) is 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(N(c3ccccc3)c3ccc4ccc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine?
The InChIKey is UYCOMPHVRNHUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-16-43(17-4-1)53(45-30-27-38(28-31-45)42-26-23-37-13-7-8-15-41(37)35-42)51-33-34-52(49-22-12-11-21-48(49)51)54(44-18-5-2-6-19-44)46-32-29-40-25-24-39-14-9-10-20-47(39)50(40)36-46/h1-36H.
What are the key properties of 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine?
1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine has a molecular weight of 688.87 g/mol, XLogP of 14.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine is sourced from PubChem (CID 166917482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).