N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C61H45N — CID 167234037

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c21
InChIInChI=1S/C61H45N/c1-61(2)58-29-12-11-25-56(58)57-28-15-27-55(60(57)61)46-32-37-51(38-33-46)62(50-35-30-43(31-36-50)48-23-13-22-47(40-48)42-16-5-3-6-17-42)59-41-49(34-39-54(59)45-18-7-4-8-19-45)53-26-14-21-44-20-9-10-24-52(44)53/h3-41H,1-2H3
InChIKeyOWNKXMJQVVFRAV-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.95
Rot. Bonds8

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167234037) has the molecular formula C61H45N and a molecular weight of 792.04 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167234037
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c21
InChIInChI=1S/C61H45N/c1-61(2)58-29-12-11-25-56(58)57-28-15-27-55(60(57)61)46-32-37-51(38-33-46)62(50-35-30-43(31-36-50)48-23-13-22-47(40-48)42-16-5-3-6-17-42)59-41-49(34-39-54(59)45-18-7-4-8-19-45)53-26-14-21-44-20-9-10-24-52(44)53/h3-41H,1-2H3
InChIKeyOWNKXMJQVVFRAV-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.04
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-phenanthren-9-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167234117
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167234954
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-2-amine
CID 167236302
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167324472
2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 171452730
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167234037) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is OWNKXMJQVVFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-61(2)58-29-12-11-25-56(58)57-28-15-27-55(60(57)61)46-32-37-51(38-33-46)62(50-35-30-43(31-36-50)48-23-13-22-47(40-48)42-16-5-3-6-17-42)59-41-49(34-39-54(59)45-18-7-4-8-19-45)53-26-14-21-44-20-9-10-24-52(44)53/h3-41H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 792.04 g/mol, XLogP of 16.95, 8 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-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167234037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).