N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine

C78H64N2 — CID 121323889

IUPACN-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3ccc(C(C)(c4ccccc4)c4ccc(N(C=C(c5ccccc5)c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C78H64N2/c1-76(2)72-37-23-21-35-66(72)68-49-47-64(51-74(68)76)79(53-70(55-25-11-6-12-26-55)56-27-13-7-14-28-56)62-43-39-60(40-44-62)78(5,59-33-19-10-20-34-59)61-41-45-63(46-42-61)80(54-71(57-29-15-8-16-30-57)58-31-17-9-18-32-58)65-48-50-69-67-36-22-24-38-73(67)77(3,4)75(69)52-65/h6-54H,1-5H3
InChIKeyLZYJTVXSPOJUBQ-UHFFFAOYSA-N
MW1029.38 g/mol
LogP20.11
Rot. Bonds13

About N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine

N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 121323889) has the molecular formula C78H64N2 and a molecular weight of 1029.38 g/mol. Its IUPAC name is N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine
PubChem CID121323889
Molecular FormulaC78H64N2
Molecular Weight1029.38 g/mol
Exact Mass1028.51
IUPAC NameN-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3ccc(C(C)(c4ccccc4)c4ccc(N(C=C(c5ccccc5)c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C78H64N2/c1-76(2)72-37-23-21-35-66(72)68-49-47-64(51-74(68)76)79(53-70(55-25-11-6-12-26-55)56-27-13-7-14-28-56)62-43-39-60(40-44-62)78(5,59-33-19-10-20-34-59)61-41-45-63(46-42-61)80(54-71(57-29-15-8-16-30-57)58-31-17-9-18-32-58)65-48-50-69-67-36-22-24-38-73(67)77(3,4)75(69)52-65/h6-54H,1-5H3
InChIKeyLZYJTVXSPOJUBQ-UHFFFAOYSA-N
XLogP20.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.38
LogP ≤ 520.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
10-benzhydrylidene-N-(4-tert-butyl-2-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylanthracen-2-amine
CID 169284425
5-N,11-N,17-N-tris(4-tert-butylphenyl)-5-N,11-N,17-N-tris(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89074314
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
N-(4-bromophenyl)-N-[4-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 142719883

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine (CID 121323889) is N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(C=C(c3ccccc3)c3ccccc3)c3ccc(C(C)(c4ccccc4)c4ccc(N(C=C(c5ccccc5)c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is LZYJTVXSPOJUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H64N2/c1-76(2)72-37-23-21-35-66(72)68-49-47-64(51-74(68)76)79(53-70(55-25-11-6-12-26-55)56-27-13-7-14-28-56)62-43-39-60(40-44-62)78(5,59-33-19-10-20-34-59)61-41-45-63(46-42-61)80(54-71(57-29-15-8-16-30-57)58-31-17-9-18-32-58)65-48-50-69-67-36-22-24-38-73(67)77(3,4)75(69)52-65/h6-54H,1-5H3.
What are the key properties of N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine?
N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1029.38 g/mol, XLogP of 20.11, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-[(9,9-dimethylfluoren-2-yl)-(2,2-diphenylethenyl)amino]phenyl]-1-phenylethyl]phenyl]-N-(2,2-diphenylethenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 121323889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).