3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline

C71H61N — CID 156827010

IUPAC3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline
SMILESCCCC1=C(c2c(C)cccc2-c2cccc(N(c3cccc(C4=CC=CCC4)c3)c3cccc(-c4ccc(-c5ccc6c(c5)C5=C(C=CCC5)C6(c5ccccc5)c5ccccc5)cc4)c3)c2)C=CCC1
InChIInChI=1S/C71H61N/c1-3-21-54-25-13-14-36-64(54)70-50(2)22-17-38-65(70)58-28-20-35-63(48-58)72(61-33-18-26-55(46-61)51-23-7-4-8-24-51)62-34-19-27-56(47-62)52-40-42-53(43-41-52)57-44-45-69-67(49-57)66-37-15-16-39-68(66)71(69,59-29-9-5-10-30-59)60-31-11-6-12-32-60/h4-7,9-12,14,16-20,22-23,26-36,38-49H,3,8,13,15,21,24-25,37H2,1-2H3
InChIKeyXAMVGNYPWYFSST-UHFFFAOYSA-N
MW928.28 g/mol
LogP19.55
Rot. Bonds12

About 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline

3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline (PubChem CID 156827010) has the molecular formula C71H61N and a molecular weight of 928.28 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline
PubChem CID156827010
Molecular FormulaC71H61N
Molecular Weight928.28 g/mol
Exact Mass927.48
IUPAC Name3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline
SMILESCCCC1=C(c2c(C)cccc2-c2cccc(N(c3cccc(C4=CC=CCC4)c3)c3cccc(-c4ccc(-c5ccc6c(c5)C5=C(C=CCC5)C6(c5ccccc5)c5ccccc5)cc4)c3)c2)C=CCC1
InChIInChI=1S/C71H61N/c1-3-21-54-25-13-14-36-64(54)70-50(2)22-17-38-65(70)58-28-20-35-63(48-58)72(61-33-18-26-55(46-61)51-23-7-4-8-24-51)62-34-19-27-56(47-62)52-40-42-53(43-41-52)57-44-45-69-67(49-57)66-37-15-16-39-68(66)71(69,59-29-9-5-10-30-59)60-31-11-6-12-32-60/h4-7,9-12,14,16-20,22-23,26-36,38-49H,3,8,13,15,21,24-25,37H2,1-2H3
InChIKeyXAMVGNYPWYFSST-UHFFFAOYSA-N
XLogP19.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.28
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline with MolForge

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Related Compounds

N-[3-(15-oxapentacyclo[21.4.0.02,7.09,14.016,21]heptacosa-1(27),2(7),3,5,9,11,13,16,18,20,23,25-dodecaen-3-yl)phenyl]-3-phenyl-N-(4-spiro[5,6-dihydrofluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 146658921
9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene
CID 156827380
N,N-diphenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)-9-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-amine
CID 167214690
3-cyclohexa-1,3-dien-1-yl-N-[4-(18-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,11,14,16(21),17,19-nonaenyl)phenyl]-N-(4-phenylphenyl)aniline;ethane
CID 144960079
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N,4-diphenyl-N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 130231435
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline (CID 156827010) is 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline is CCCC1=C(c2c(C)cccc2-c2cccc(N(c3cccc(C4=CC=CCC4)c3)c3cccc(-c4ccc(-c5ccc6c(c5)C5=C(C=CCC5)C6(c5ccccc5)c5ccccc5)cc4)c3)c2)C=CCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline?
The InChIKey is XAMVGNYPWYFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H61N/c1-3-21-54-25-13-14-36-64(54)70-50(2)22-17-38-65(70)58-28-20-35-63(48-58)72(61-33-18-26-55(46-61)51-23-7-4-8-24-51)62-34-19-27-56(47-62)52-40-42-53(43-41-52)57-44-45-69-67(49-57)66-37-15-16-39-68(66)71(69,59-29-9-5-10-30-59)60-31-11-6-12-32-60/h4-7,9-12,14,16-20,22-23,26-36,38-49H,3,8,13,15,21,24-25,37H2,1-2H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline?
3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline has a molecular weight of 928.28 g/mol, XLogP of 19.55, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 156827010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).