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

C61H45N — CID 168790996

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c21
InChIInChI=1S/C61H45N/c1-61(2)57-29-14-13-24-54(57)56-28-15-27-53(60(56)61)46-35-39-50(40-36-46)62(49-37-33-43(34-38-49)48-32-31-42-17-9-10-22-47(42)41-48)58-30-16-26-52(45-20-7-4-8-21-45)59(58)55-25-12-11-23-51(55)44-18-5-3-6-19-44/h3-41H,1-2H3
InChIKeyPTSMWBWZLMIMIF-UHFFFAOYSA-N
MW792.04 g/mol
LogP16.95
Rot. Bonds8

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

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168790996) 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]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168790996
Molecular FormulaC61H45N
Molecular Weight792.04 g/mol
Exact Mass791.36
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c21
InChIInChI=1S/C61H45N/c1-61(2)57-29-14-13-24-54(57)56-28-15-27-53(60(56)61)46-35-39-50(40-36-46)62(49-37-33-43(34-38-49)48-32-31-42-17-9-10-22-47(42)41-48)58-30-16-26-52(45-20-7-4-8-21-45)59(58)55-25-12-11-23-51(55)44-18-5-3-6-19-44/h3-41H,1-2H3
InChIKeyPTSMWBWZLMIMIF-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-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789634
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790731
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
9,9-dimethyl-8-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285414
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789552
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788736
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168789629
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168790996) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is PTSMWBWZLMIMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N/c1-61(2)57-29-14-13-24-54(57)56-28-15-27-53(60(56)61)46-35-39-50(40-36-46)62(49-37-33-43(34-38-49)48-32-31-42-17-9-10-22-47(42)41-48)58-30-16-26-52(45-20-7-4-8-21-45)59(58)55-25-12-11-23-51(55)44-18-5-3-6-19-44/h3-41H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)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]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168790996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).