N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline

C52H35N — CID 170136262

IUPACN-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H35N/c1-2-11-36(12-3-1)37-21-28-43(29-22-37)53(52-20-9-8-18-51(52)48-19-10-15-39-13-4-6-16-45(39)48)44-30-23-38(24-31-44)41-26-32-47-42(35-41)27-34-49-46-17-7-5-14-40(46)25-33-50(47)49/h1-35H
InChIKeyNBNLEWAGESXHJY-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline

N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline (PubChem CID 170136262) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
PubChem CID170136262
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H35N/c1-2-11-36(12-3-1)37-21-28-43(29-22-37)53(52-20-9-8-18-51(52)48-19-10-15-39-13-4-6-16-45(39)48)44-30-23-38(24-31-44)41-26-32-47-42(35-41)27-34-49-46-17-7-5-14-40(46)25-33-50(47)49/h1-35H
InChIKeyNBNLEWAGESXHJY-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-(4-chrysen-3-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170141031
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
6-chrysen-1-yl-N-[4-[3-[4-[1-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]chrysen-6-yl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 170141997
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline (CID 170136262) is N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6c7ccccc7ccc56)c4)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
The InChIKey is NBNLEWAGESXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-2-11-36(12-3-1)37-21-28-43(29-22-37)53(52-20-9-8-18-51(52)48-19-10-15-39-13-4-6-16-45(39)48)44-30-23-38(24-31-44)41-26-32-47-42(35-41)27-34-49-46-17-7-5-14-40(46)25-33-50(47)49/h1-35H.
What are the key properties of N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline?
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170136262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).