N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine

C52H47N — CID 176781171

IUPACN-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C52H47N/c1-50(2,3)48-32-37(34-15-9-8-10-16-34)24-30-49(48)53(39-27-28-42-40-17-11-13-19-44(40)52(6,7)47(42)33-39)38-25-21-35(22-26-38)36-23-29-46-43(31-36)41-18-12-14-20-45(41)51(46,4)5/h8-33H,1-7H3
InChIKeyLCXZBRXFPQBNHH-UHFFFAOYSA-N
MW685.96 g/mol
LogP14.40
Rot. Bonds5

About N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine

N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 176781171) has the molecular formula C52H47N and a molecular weight of 685.96 g/mol. Its IUPAC name is N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID176781171
Molecular FormulaC52H47N
Molecular Weight685.96 g/mol
Exact Mass685.37
IUPAC NameN-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C52H47N/c1-50(2,3)48-32-37(34-15-9-8-10-16-34)24-30-49(48)53(39-27-28-42-40-17-11-13-19-44(40)52(6,7)47(42)33-39)38-25-21-35(22-26-38)36-23-29-46-43(31-36)41-18-12-14-20-45(41)51(46,4)5/h8-33H,1-7H3
InChIKeyLCXZBRXFPQBNHH-UHFFFAOYSA-N
XLogP14.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-tert-butyl-4-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 176781141
N-(2-tert-butyl-4-phenylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 176781079
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
N-[2-tert-butyl-4-(8-phenyldibenzothiophen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781264
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(2-tert-butyl-4,6-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781165
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-2-amine
CID 176781221
N-[2-tert-butyl-4-(6-phenyldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781127

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 176781171) is N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc(-c2ccc3c(c2)-c2ccccc2C3(C)C)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is LCXZBRXFPQBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47N/c1-50(2,3)48-32-37(34-15-9-8-10-16-34)24-30-49(48)53(39-27-28-42-40-17-11-13-19-44(40)52(6,7)47(42)33-39)38-25-21-35(22-26-38)36-23-29-46-43(31-36)41-18-12-14-20-45(41)51(46,4)5/h8-33H,1-7H3.
What are the key properties of N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 685.96 g/mol, XLogP of 14.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-phenylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 176781171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).