N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine

C56H39N — CID 153357645

IUPACN-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
SMILESC1=CC(N(c2ccc(-c3ccccc3)cc2)c2cc3ccccc3c3ccccc23)CC=C1c1ccc(-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C56H39N/c1-2-13-38(14-3-1)40-29-33-44(34-30-40)57(55-37-43-15-4-5-16-46(43)48-17-8-10-21-52(48)55)45-35-31-41(32-36-45)39-25-27-42(28-26-39)47-23-12-24-54-51-19-7-6-18-49(51)50-20-9-11-22-53(50)56(47)54/h1-35,37,45H,36H2
InChIKeyFOSOYQJHIBCXBI-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.34
Rot. Bonds6

About N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine

N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine (PubChem CID 153357645) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
PubChem CID153357645
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
SMILESC1=CC(N(c2ccc(-c3ccccc3)cc2)c2cc3ccccc3c3ccccc23)CC=C1c1ccc(-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C56H39N/c1-2-13-38(14-3-1)40-29-33-44(34-30-40)57(55-37-43-15-4-5-16-46(43)48-17-8-10-21-52(48)55)45-35-31-41(32-36-45)39-25-27-42(28-26-39)47-23-12-24-54-51-19-7-6-18-49(51)50-20-9-11-22-53(50)56(47)54/h1-35,37,45H,36H2
InChIKeyFOSOYQJHIBCXBI-UHFFFAOYSA-N
XLogP15.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.34
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-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
9-(2,6-diphenylpyrimidin-4-yl)-11,11-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 170411394
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
4-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170026537
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167253427
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoreno[4,3-b][1]benzothiol-1-amine
CID 145021150
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582742
N-(4-fluoranthen-3-ylcyclohexa-2,4-dien-1-yl)-N-naphthalen-1-ylpyridin-4-amine
CID 166714044

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine (CID 153357645) is N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine is C1=CC(N(c2ccc(-c3ccccc3)cc2)c2cc3ccccc3c3ccccc23)CC=C1c1ccc(-c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine?
The InChIKey is FOSOYQJHIBCXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-2-13-38(14-3-1)40-29-33-44(34-30-40)57(55-37-43-15-4-5-16-46(43)48-17-8-10-21-52(48)55)45-35-31-41(32-36-45)39-25-27-42(28-26-39)47-23-12-24-54-51-19-7-6-18-49(51)50-20-9-11-22-53(50)56(47)54/h1-35,37,45H,36H2.
What are the key properties of N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine?
N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine has a molecular weight of 725.94 g/mol, XLogP of 15.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine is sourced from PubChem (CID 153357645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).