N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine

C55H37N — CID 163729194

IUPACN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)-c2cccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cc5ccccc5c5ccccc45)c2C3)cc1
InChIInChI=1S/C55H37N/c1-2-11-37(12-3-1)44-27-28-46-35-53-50(52(46)34-44)19-10-20-54(53)56(55-36-45-15-6-7-16-48(45)49-17-8-9-18-51(49)55)47-31-29-40(30-32-47)39-21-23-41(24-22-39)43-26-25-38-13-4-5-14-42(38)33-43/h1-34,36H,35H2
InChIKeyWWHMMIASHSAPKZ-UHFFFAOYSA-N
MW711.91 g/mol
LogP15.19
Rot. Bonds6

About N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine (PubChem CID 163729194) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine
PubChem CID163729194
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine
SMILESc1ccc(-c2ccc3c(c2)-c2cccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cc5ccccc5c5ccccc45)c2C3)cc1
InChIInChI=1S/C55H37N/c1-2-11-37(12-3-1)44-27-28-46-35-53-50(52(46)34-44)19-10-20-54(53)56(55-36-45-15-6-7-16-48(45)49-17-8-9-18-51(49)55)47-31-29-40(30-32-47)39-21-23-41(24-22-39)43-26-25-38-13-4-5-14-42(38)33-43/h1-34,36H,35H2
InChIKeyWWHMMIASHSAPKZ-UHFFFAOYSA-N
XLogP15.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 515.19
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-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
CID 169062894
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172501021
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477659
N-(3-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155303616
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine?
The IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine (CID 163729194) is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine?
The canonical SMILES for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine is c1ccc(-c2ccc3c(c2)-c2cccc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4cc5ccccc5c5ccccc45)c2C3)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine?
The InChIKey is WWHMMIASHSAPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-2-11-37(12-3-1)44-27-28-46-35-53-50(52(46)34-44)19-10-20-54(53)56(55-36-45-15-6-7-16-48(45)49-17-8-9-18-51(49)55)47-31-29-40(30-32-47)39-21-23-41(24-22-39)43-26-25-38-13-4-5-14-42(38)33-43/h1-34,36H,35H2.
What are the key properties of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine?
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine has a molecular weight of 711.91 g/mol, XLogP of 15.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(6-phenyl-9H-fluoren-1-yl)phenanthren-9-amine is sourced from PubChem (CID 163729194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).