4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine

C58H45N — CID 170230959

IUPAC4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine
SMILESCC1C=CC(c2ccccc2N(c2cc3c(c(-c4ccccc4)c2)C=CC(C)C3)c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)c3ccccc23)=CC1
InChIInChI=1S/C58H45N/c1-38-20-23-42(24-21-38)50-15-10-11-19-56(50)59(47-35-46-34-39(2)22-31-49(46)54(37-47)40-12-4-3-5-13-40)57-33-32-48(52-17-8-9-18-53(52)57)45-30-27-43-26-29-44-28-25-41-14-6-7-16-51(41)58(44)55(43)36-45/h3-20,22-33,35-39H,21,34H2,1-2H3
InChIKeyDDXBEWOCFWSQCB-UHFFFAOYSA-N
MW756.01 g/mol
LogP16.29
Rot. Bonds6

About 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine

4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine (PubChem CID 170230959) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine.

Molecular Properties

Compound Name4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine
PubChem CID170230959
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC Name4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine
SMILESCC1C=CC(c2ccccc2N(c2cc3c(c(-c4ccccc4)c2)C=CC(C)C3)c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)c3ccccc23)=CC1
InChIInChI=1S/C58H45N/c1-38-20-23-42(24-21-38)50-15-10-11-19-56(50)59(47-35-46-34-39(2)22-31-49(46)54(37-47)40-12-4-3-5-13-40)57-33-32-48(52-17-8-9-18-53(52)57)45-30-27-43-26-29-44-28-25-41-14-6-7-16-51(41)58(44)55(43)36-45/h3-20,22-33,35-39H,21,34H2,1-2H3
InChIKeyDDXBEWOCFWSQCB-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 516.29
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-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 134219894
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170130600
N-[3-[9-(4-methylcyclohexa-1,5-dien-1-yl)carbazol-4-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297449
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300
9,9-dimethyl-N-naphthalen-1-yl-N-[2-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]-7-(4-phenylphenyl)fluoren-2-amine
CID 121321577
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
9,9-dimethyl-N-[2-(5-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-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine?
The IUPAC name of 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine (CID 170230959) is 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine.
What is the SMILES notation for 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine?
The canonical SMILES for 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine is CC1C=CC(c2ccccc2N(c2cc3c(c(-c4ccccc4)c2)C=CC(C)C3)c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)c3ccccc23)=CC1.
What is the InChIKey of 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine?
The InChIKey is DDXBEWOCFWSQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-38-20-23-42(24-21-38)50-15-10-11-19-56(50)59(47-35-46-34-39(2)22-31-49(46)54(37-47)40-12-4-3-5-13-40)57-33-32-48(52-17-8-9-18-53(52)57)45-30-27-43-26-29-44-28-25-41-14-6-7-16-51(41)58(44)55(43)36-45/h3-20,22-33,35-39H,21,34H2,1-2H3.
What are the key properties of 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine?
4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine has a molecular weight of 756.01 g/mol, XLogP of 16.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c]phenanthren-2-yl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(7-methyl-4-phenyl-7,8-dihydronaphthalen-2-yl)naphthalen-1-amine is sourced from PubChem (CID 170230959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).