N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine

C60H47N — CID 168789552

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C60H47N/c1-59(2)52-32-16-14-27-50(52)57-53(59)33-19-35-55(57)61(43-38-36-42(37-39-43)46-29-17-30-49-47-25-13-15-31-51(47)60(3,4)58(46)49)54-34-18-28-45(41-22-9-6-10-23-41)56(54)48-26-12-11-24-44(48)40-20-7-5-8-21-40/h5-39H,1-4H3
InChIKeyMIDBHQZRCAAZDA-UHFFFAOYSA-N
MW782.04 g/mol
LogP16.44
Rot. Bonds7

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine (PubChem CID 168789552) has the molecular formula C60H47N and a molecular weight of 782.04 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
PubChem CID168789552
Molecular FormulaC60H47N
Molecular Weight782.04 g/mol
Exact Mass781.37
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C60H47N/c1-59(2)52-32-16-14-27-50(52)57-53(59)33-19-35-55(57)61(43-38-36-42(37-39-43)46-29-17-30-49-47-25-13-15-31-51(47)60(3,4)58(46)49)54-34-18-28-45(41-22-9-6-10-23-41)56(54)48-26-12-11-24-44(48)40-20-7-5-8-21-40/h5-39H,1-4H3
InChIKeyMIDBHQZRCAAZDA-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.04
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-[3-(9,9-dimethylfluoren-2-yl)-2-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167285886
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788393
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168790399
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]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790996
N-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170215470
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
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-2-amine
CID 167285492

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine (CID 168789552) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4C(C)(C)c4ccccc4-5)cc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
The InChIKey is MIDBHQZRCAAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47N/c1-59(2)52-32-16-14-27-50(52)57-53(59)33-19-35-55(57)61(43-38-36-42(37-39-43)46-29-17-30-49-47-25-13-15-31-51(47)60(3,4)58(46)49)54-34-18-28-45(41-22-9-6-10-23-41)56(54)48-26-12-11-24-44(48)40-20-7-5-8-21-40/h5-39H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine has a molecular weight of 782.04 g/mol, XLogP of 16.44, 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-1-yl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 168789552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).