N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline

C55H41N — CID 167324461

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C55H41N/c1-55(2)52-24-10-8-22-50(52)51-35-32-43(37-53(51)55)40-30-33-45(34-31-40)56(46-19-12-18-44(36-46)48-23-13-17-41-16-6-7-20-47(41)48)54-25-11-9-21-49(54)42-28-26-39(27-29-42)38-14-4-3-5-15-38/h3-37H,1-2H3
InChIKeyVDEAQBVNEVIHJJ-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.28
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 167324461) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID167324461
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C55H41N/c1-55(2)52-24-10-8-22-50(52)51-35-32-43(37-53(51)55)40-30-33-45(34-31-40)56(46-19-12-18-44(36-46)48-23-13-17-41-16-6-7-20-47(41)48)54-25-11-9-21-49(54)42-28-26-39(27-29-42)38-14-4-3-5-15-38/h3-37H,1-2H3
InChIKeyVDEAQBVNEVIHJJ-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 170215574
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 165052112

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline (CID 167324461) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is VDEAQBVNEVIHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)52-24-10-8-22-50(52)51-35-32-43(37-53(51)55)40-30-33-45(34-31-40)56(46-19-12-18-44(36-46)48-23-13-17-41-16-6-7-20-47(41)48)54-25-11-9-21-49(54)42-28-26-39(27-29-42)38-14-4-3-5-15-38/h3-37H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 167324461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).