2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline

C65H47N — CID 170135025

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc21
InChIInChI=1S/C65H47N/c1-65(2)61-29-15-13-27-58(61)64-57(28-17-30-62(64)65)56-26-14-16-31-63(56)66(51-39-34-47(35-40-51)60-43-49-22-9-10-23-52(49)54-24-11-12-25-55(54)60)50-37-32-44(33-38-50)48-36-41-53(45-18-5-3-6-19-45)59(42-48)46-20-7-4-8-21-46/h3-43H,1-2H3
InChIKeyBQUGYGKBUDAORF-UHFFFAOYSA-N
MW842.10 g/mol
LogP18.10
Rot. Bonds8

About 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline

2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 170135025) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
PubChem CID170135025
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc21
InChIInChI=1S/C65H47N/c1-65(2)61-29-15-13-27-58(61)64-57(28-17-30-62(64)65)56-26-14-16-31-63(56)66(51-39-34-47(35-40-51)60-43-49-22-9-10-23-52(49)54-24-11-12-25-55(54)60)50-37-32-44(33-38-50)48-36-41-53(45-18-5-3-6-19-45)59(42-48)46-20-7-4-8-21-46/h3-43H,1-2H3
InChIKeyBQUGYGKBUDAORF-UHFFFAOYSA-N
XLogP18.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 518.10
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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789557
2-(9,9-dimethylfluoren-4-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]aniline
CID 170134948
N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 170143912
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 177274461
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170142402
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158155243

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline (CID 170135025) is 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?
The InChIKey is BQUGYGKBUDAORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-65(2)61-29-15-13-27-58(61)64-57(28-17-30-62(64)65)56-26-14-16-31-63(56)66(51-39-34-47(35-40-51)60-43-49-22-9-10-23-52(49)54-24-11-12-25-55(54)60)50-37-32-44(33-38-50)48-36-41-53(45-18-5-3-6-19-45)59(42-48)46-20-7-4-8-21-46/h3-43H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline?
2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 842.10 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 170135025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).