N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine

C69H53N — CID 153471039

IUPACN-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc(C3C=CC(C(Cc4ccccc4)c4ccccc4)=CC3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C69H53N/c1-6-18-50(19-7-1)48-66(57-22-10-3-11-23-57)58-36-34-54(35-37-58)56-40-44-62(45-41-56)70(61-42-38-55(39-43-61)53-32-30-52(31-33-53)51-20-8-2-9-21-51)63-46-47-65-64-28-16-17-29-67(64)69(68(65)49-63,59-24-12-4-13-25-59)60-26-14-5-15-27-60/h1-34,36-47,49,54,66H,35,48H2/i38D,39D,42D,43D
InChIKeyYMVGWIDHBITESQ-CHJCJQDESA-N
MW900.21 g/mol
LogP17.85
Rot. Bonds12

About N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine

N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 153471039) has the molecular formula C69H53N and a molecular weight of 900.21 g/mol. Its IUPAC name is N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID153471039
Molecular FormulaC69H53N
Molecular Weight900.21 g/mol
Exact Mass899.44
IUPAC NameN-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc(C3C=CC(C(Cc4ccccc4)c4ccccc4)=CC3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C69H53N/c1-6-18-50(19-7-1)48-66(57-22-10-3-11-23-57)58-36-34-54(35-37-58)56-40-44-62(45-41-56)70(61-42-38-55(39-43-61)53-32-30-52(31-33-53)51-20-8-2-9-21-51)63-46-47-65-64-28-16-17-29-67(64)69(68(65)49-63,59-24-12-4-13-25-59)60-26-14-5-15-27-60/h1-34,36-47,49,54,66H,35,48H2/i38D,39D,42D,43D
InChIKeyYMVGWIDHBITESQ-CHJCJQDESA-N
XLogP17.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.21
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 153471039) is N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc(C3C=CC(C(Cc4ccccc4)c4ccccc4)=CC3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is YMVGWIDHBITESQ-CHJCJQDESA-N. The full InChI is InChI=1S/C69H53N/c1-6-18-50(19-7-1)48-66(57-22-10-3-11-23-57)58-36-34-54(35-37-58)56-40-44-62(45-41-56)70(61-42-38-55(39-43-61)53-32-30-52(31-33-53)51-20-8-2-9-21-51)63-46-47-65-64-28-16-17-29-67(64)69(68(65)49-63,59-24-12-4-13-25-59)60-26-14-5-15-27-60/h1-34,36-47,49,54,66H,35,48H2/i38D,39D,42D,43D.
What are the key properties of N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 900.21 g/mol, XLogP of 17.85, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2-diphenylethyl)cyclohexa-2,4-dien-1-yl]phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 153471039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).