N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine

C50H37N — CID 89086103

IUPACN-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
SMILESC1=CC2=C(CC1)C(N(c1ccc(-c3cc4cc(-c5ccccc5)c5ccccc5c4c4ccccc34)cc1)c1ccc3ccccc3c1)=CCC2
InChIInChI=1S/C50H37N/c1-2-14-36(15-3-1)47-32-39-33-48(44-21-9-11-23-46(44)50(39)45-22-10-8-20-43(45)47)37-26-28-40(29-27-37)51(41-30-25-34-13-4-5-17-38(34)31-41)49-24-12-18-35-16-6-7-19-42(35)49/h1-6,8-11,13-17,20-33H,7,12,18-19H2
InChIKeyGHXZOCHRJDIDHZ-UHFFFAOYSA-N
MW651.85 g/mol
LogP14.10
Rot. Bonds5

About N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine

N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine (PubChem CID 89086103) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
PubChem CID89086103
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC NameN-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
SMILESC1=CC2=C(CC1)C(N(c1ccc(-c3cc4cc(-c5ccccc5)c5ccccc5c4c4ccccc34)cc1)c1ccc3ccccc3c1)=CCC2
InChIInChI=1S/C50H37N/c1-2-14-36(15-3-1)47-32-39-33-48(44-21-9-11-23-46(44)50(39)45-22-10-8-20-43(45)47)37-26-28-40(29-27-37)51(41-30-25-34-13-4-5-17-38(34)31-41)49-24-12-18-35-16-6-7-19-42(35)49/h1-6,8-11,13-17,20-33H,7,12,18-19H2
InChIKeyGHXZOCHRJDIDHZ-UHFFFAOYSA-N
XLogP14.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine
CID 89083683
N-naphthalen-1-yl-N-[4-[5-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]benzo[c]phenanthren-8-yl]phenyl]naphthalen-2-amine
CID 59282241
N-(4-methylphenyl)-N-phenyl-6-(8-phenylbenzo[c]phenanthren-5-yl)naphthalen-2-amine
CID 59282472
N-(4-tert-butylphenyl)-6-[8-(5,6-dihydronaphthalen-2-yl)benzo[c]phenanthren-5-yl]-N-phenylnaphthalen-2-amine
CID 89086114
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
3-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183914
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
CID 70881589
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 91240988

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
The IUPAC name of N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine (CID 89086103) is N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
The canonical SMILES for N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine is C1=CC2=C(CC1)C(N(c1ccc(-c3cc4cc(-c5ccccc5)c5ccccc5c4c4ccccc34)cc1)c1ccc3ccccc3c1)=CCC2.
What is the InChIKey of N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
The InChIKey is GHXZOCHRJDIDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-2-14-36(15-3-1)47-32-39-33-48(44-21-9-11-23-46(44)50(39)45-22-10-8-20-43(45)47)37-26-28-40(29-27-37)51(41-30-25-34-13-4-5-17-38(34)31-41)49-24-12-18-35-16-6-7-19-42(35)49/h1-6,8-11,13-17,20-33H,7,12,18-19H2.
What are the key properties of N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine?
N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine has a molecular weight of 651.85 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 89086103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).