3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline

C67H47N — CID 170666108

IUPAC3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline
SMILESCC1(C)c2cccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)c2-c2ccc3ccccc3c21
InChIInChI=1S/C67H47N/c1-67(2)61-32-17-30-58(65(61)59-42-37-46-21-9-10-25-51(46)66(59)67)57-31-18-34-63(64(57)47-22-7-4-8-23-47)68(49-39-35-45(36-40-49)44-19-5-3-6-20-44)62-33-16-15-24-50(62)48-38-41-56-54-28-12-11-26-52(54)53-27-13-14-29-55(53)60(56)43-48/h3-43H,1-2H3
InChIKeySKEZWHFOSONBCP-UHFFFAOYSA-N
MW866.12 g/mol
LogP18.74
Rot. Bonds7

About 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline

3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline (PubChem CID 170666108) has the molecular formula C67H47N and a molecular weight of 866.12 g/mol. Its IUPAC name is 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline
PubChem CID170666108
Molecular FormulaC67H47N
Molecular Weight866.12 g/mol
Exact Mass865.37
IUPAC Name3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline
SMILESCC1(C)c2cccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)c2-c2ccc3ccccc3c21
InChIInChI=1S/C67H47N/c1-67(2)61-32-17-30-58(65(61)59-42-37-46-21-9-10-25-51(46)66(59)67)57-31-18-34-63(64(57)47-22-7-4-8-23-47)68(49-39-35-45(36-40-49)44-19-5-3-6-20-44)62-33-16-15-24-50(62)48-38-41-56-54-28-12-11-26-52(54)53-27-13-14-29-55(53)60(56)43-48/h3-43H,1-2H3
InChIKeySKEZWHFOSONBCP-UHFFFAOYSA-N
XLogP18.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.12
LogP ≤ 518.74
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

9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-[3-phenanthren-9-yl-2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177274581
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(3-phenanthren-9-yl-2-phenylphenyl)fluoren-2-amine
CID 177274844
N-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-2-phenylphenyl]-N-(3-phenylphenyl)triphenylen-2-amine
CID 170665577
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139672
N-[4-(9,9-dimethyl-3,5-diphenylfluoren-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 170529480
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291

Frequently Asked Questions

What is the IUPAC name of 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline?
The IUPAC name of 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline (CID 170666108) is 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline.
What is the SMILES notation for 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline?
The canonical SMILES for 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline is CC1(C)c2cccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4ccc5c6ccccc6c6ccccc6c5c4)c3-c3ccccc3)c2-c2ccc3ccccc3c21.
What is the InChIKey of 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline?
The InChIKey is SKEZWHFOSONBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N/c1-67(2)61-32-17-30-58(65(61)59-42-37-46-21-9-10-25-51(46)66(59)67)57-31-18-34-63(64(57)47-22-7-4-8-23-47)68(49-39-35-45(36-40-49)44-19-5-3-6-20-44)62-33-16-15-24-50(62)48-38-41-56-54-28-12-11-26-52(54)53-27-13-14-29-55(53)60(56)43-48/h3-43H,1-2H3.
What are the key properties of 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline?
3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline has a molecular weight of 866.12 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(11,11-dimethylbenzo[a]fluoren-7-yl)-2-phenyl-N-(4-phenylphenyl)-N-(2-triphenylen-2-ylphenyl)aniline is sourced from PubChem (CID 170666108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).