N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

C63H43N — CID 142754283

IUPACN-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C63H43N/c1-4-16-44(17-5-1)45-28-30-46(31-29-45)47-32-36-52(37-33-47)64(53-38-34-48(35-39-53)60-42-49-18-10-11-23-55(49)56-24-12-13-25-57(56)60)54-40-41-59-58-26-14-15-27-61(58)63(62(59)43-54,50-19-6-2-7-20-50)51-21-8-3-9-22-51/h1-43H
InChIKeyTYNCSGBYOCSPCE-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.83
Rot. Bonds8

About N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 142754283) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID142754283
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C63H43N/c1-4-16-44(17-5-1)45-28-30-46(31-29-45)47-32-36-52(37-33-47)64(53-38-34-48(35-39-53)60-42-49-18-10-11-23-55(49)56-24-12-13-25-57(56)60)54-40-41-59-58-26-14-15-27-61(58)63(62(59)43-54,50-19-6-2-7-20-50)51-21-8-3-9-22-51/h1-43H
InChIKeyTYNCSGBYOCSPCE-UHFFFAOYSA-N
XLogP16.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
LogP ≤ 516.83
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-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]fluoren-2-amine
CID 153471387
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-9-ylphenyl)triphenylen-2-amine
CID 142567575
9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)fluoren-2-amine
CID 153471240
N,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
CID 146631646
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234612
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 142754283) is N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is TYNCSGBYOCSPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-4-16-44(17-5-1)45-28-30-46(31-29-45)47-32-36-52(37-33-47)64(53-38-34-48(35-39-53)60-42-49-18-10-11-23-55(49)56-24-12-13-25-57(56)60)54-40-41-59-58-26-14-15-27-61(58)63(62(59)43-54,50-19-6-2-7-20-50)51-21-8-3-9-22-51/h1-43H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 814.04 g/mol, XLogP of 16.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 142754283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).