N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine

C60H39N — CID 167183092

IUPACN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)ccc2N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C60H39N/c1-2-11-42(12-3-1)57-39-49(54-20-10-16-41-13-4-7-17-52(41)54)31-36-59(57)61(51-34-35-55-48(37-51)28-24-43-14-5-8-18-53(43)55)50-32-29-40(30-33-50)47-27-23-45-22-26-46-25-21-44-15-6-9-19-56(44)60(46)58(45)38-47/h1-39H
InChIKeyNOQQJEVNALMCTE-UHFFFAOYSA-N
MW773.98 g/mol
LogP17.08
Rot. Bonds6

About N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine (PubChem CID 167183092) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
PubChem CID167183092
Molecular FormulaC60H39N
Molecular Weight773.98 g/mol
Exact Mass773.31
IUPAC NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)ccc2N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C60H39N/c1-2-11-42(12-3-1)57-39-49(54-20-10-16-41-13-4-7-17-52(41)54)31-36-59(57)61(51-34-35-55-48(37-51)28-24-43-14-5-8-18-53(43)55)50-32-29-40(30-33-50)47-27-23-45-22-26-46-25-21-44-15-6-9-19-56(44)60(46)58(45)38-47/h1-39H
InChIKeyNOQQJEVNALMCTE-UHFFFAOYSA-N
XLogP17.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 517.08
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

2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 163718769
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167183896
N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
CID 171054294
N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 167183489
N-(3-naphthalen-1-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-2,4-diphenylaniline
CID 166566557
N-[4-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167183724
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)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-6-amine
CID 177100449
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine (CID 167183092) is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cc(-c3cccc4ccccc34)ccc2N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine?
The InChIKey is NOQQJEVNALMCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-2-11-42(12-3-1)57-39-49(54-20-10-16-41-13-4-7-17-52(41)54)31-36-59(57)61(51-34-35-55-48(37-51)28-24-43-14-5-8-18-53(43)55)50-32-29-40(30-33-50)47-27-23-45-22-26-46-25-21-44-15-6-9-19-56(44)60(46)58(45)38-47/h1-39H.
What are the key properties of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine?
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine has a molecular weight of 773.98 g/mol, XLogP of 17.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167183092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).