N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine

C63H45N — CID 153471126

IUPACN-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESC1=CCC(c2ccc(N(c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c(-c3ccccc3)c2)C=C1
InChIInChI=1S/C63H45N/c1-5-18-44(19-6-1)49-35-39-62(59(42-49)45-20-7-2-8-21-45)64(53-28-17-23-47(41-53)48-34-37-56-50(40-48)33-32-46-22-13-14-29-55(46)56)54-36-38-58-57-30-15-16-31-60(57)63(61(58)43-54,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-18,20-44H,19H2
InChIKeyRJNUCAYYOMUWRC-UHFFFAOYSA-N
MW816.06 g/mol
LogP16.76
Rot. Bonds8

About N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine

N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine (PubChem CID 153471126) has the molecular formula C63H45N and a molecular weight of 816.06 g/mol. Its IUPAC name is N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
PubChem CID153471126
Molecular FormulaC63H45N
Molecular Weight816.06 g/mol
Exact Mass815.36
IUPAC NameN-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
SMILESC1=CCC(c2ccc(N(c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c(-c3ccccc3)c2)C=C1
InChIInChI=1S/C63H45N/c1-5-18-44(19-6-1)49-35-39-62(59(42-49)45-20-7-2-8-21-45)64(53-28-17-23-47(41-53)48-34-37-56-50(40-48)33-32-46-22-13-14-29-55(46)56)54-36-38-58-57-30-15-16-31-60(57)63(61(58)43-54,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-18,20-44H,19H2
InChIKeyRJNUCAYYOMUWRC-UHFFFAOYSA-N
XLogP16.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 516.76
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-(3-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170115830
N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-3-amine
CID 164748052
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-yl-2-phenylphenyl)fluoren-2-amine
CID 155181598
N,N-bis(9,9-diphenylfluoren-2-yl)-8-[4-[2-[(9,9-diphenylfluoren-2-yl)-phenanthren-2-ylamino]-9-phenylfluoren-9-yl]phenyl]phenanthren-3-amine
CID 135303377
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048535
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167329607

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine (CID 153471126) is N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine is C1=CCC(c2ccc(N(c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c(-c3ccccc3)c2)C=C1.
What is the InChIKey of N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
The InChIKey is RJNUCAYYOMUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N/c1-5-18-44(19-6-1)49-35-39-62(59(42-49)45-20-7-2-8-21-45)64(53-28-17-23-47(41-53)48-34-37-56-50(40-48)33-32-46-22-13-14-29-55(46)56)54-36-38-58-57-30-15-16-31-60(57)63(61(58)43-54,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-18,20-44H,19H2.
What are the key properties of N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine?
N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine has a molecular weight of 816.06 g/mol, XLogP of 16.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)-N-(3-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 153471126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).