9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine

C51H39N — CID 168789021

IUPAC9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C51H39N/c1-51(2)45-31-15-14-29-44(45)50-46(51)32-18-34-48(50)52(40-26-16-25-39(35-40)36-19-6-3-7-20-36)47-33-17-30-42(38-23-10-5-11-24-38)49(47)43-28-13-12-27-41(43)37-21-8-4-9-22-37/h3-35H,1-2H3
InChIKeyBEDLFSKIKOTVST-UHFFFAOYSA-N
MW665.88 g/mol
LogP14.13
Rot. Bonds7

About 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 168789021) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID168789021
Molecular FormulaC51H39N
Molecular Weight665.88 g/mol
Exact Mass665.31
IUPAC Name9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C51H39N/c1-51(2)45-31-15-14-29-44(45)50-46(51)32-18-34-48(50)52(40-26-16-25-39(35-40)36-19-6-3-7-20-36)47-33-17-30-42(38-23-10-5-11-24-38)49(47)43-28-13-12-27-41(43)37-21-8-4-9-22-37/h3-35H,1-2H3
InChIKeyBEDLFSKIKOTVST-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 168789981
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117408
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788809
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020176
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine (CID 168789021) is 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is BEDLFSKIKOTVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N/c1-51(2)45-31-15-14-29-44(45)50-46(51)32-18-34-48(50)52(40-26-16-25-39(35-40)36-19-6-3-7-20-36)47-33-17-30-42(38-23-10-5-11-24-38)49(47)43-28-13-12-27-41(43)37-21-8-4-9-22-37/h3-35H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 665.88 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 168789021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).