N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine

C67H56N2O — CID 123414331

IUPACN-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine
SMILESCCC=C(C=CCN(c1ccc(C2C=CC=CC2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1oc1c(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)cccc12
InChIInChI=1S/C67H56N2O/c1-6-19-45(22-18-39-68(46-35-33-44(34-36-46)43-20-8-7-9-21-43)47-37-38-51-49-23-10-13-29-57(49)66(2,3)59(51)40-47)48-26-16-27-53-54-28-17-32-62(65(54)70-64(48)53)69-61-31-15-12-25-52(61)56-41-55-50-24-11-14-30-58(50)67(4,5)60(55)42-63(56)69/h7-20,22-38,40-43H,6,21,39H2,1-5H3
InChIKeyWGWLRMJKTLWDJT-UHFFFAOYSA-N
MW905.20 g/mol
LogP18.08
Rot. Bonds9

About N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine

N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine (PubChem CID 123414331) has the molecular formula C67H56N2O and a molecular weight of 905.20 g/mol. Its IUPAC name is N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine
PubChem CID123414331
Molecular FormulaC67H56N2O
Molecular Weight905.20 g/mol
Exact Mass904.44
IUPAC NameN-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine
SMILESCCC=C(C=CCN(c1ccc(C2C=CC=CC2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1oc1c(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)cccc12
InChIInChI=1S/C67H56N2O/c1-6-19-45(22-18-39-68(46-35-33-44(34-36-46)43-20-8-7-9-21-43)47-37-38-51-49-23-10-13-29-57(49)66(2,3)59(51)40-47)48-26-16-27-53-54-28-17-32-62(65(54)70-64(48)53)69-61-31-15-12-25-52(61)56-41-55-50-24-11-14-30-58(50)67(4,5)60(55)42-63(56)69/h7-20,22-38,40-43H,6,21,39H2,1-5H3
InChIKeyWGWLRMJKTLWDJT-UHFFFAOYSA-N
XLogP18.08
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.20
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
7,7-dimethyl-5-[7-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 170277611
6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90125929
2-cyclohexa-2,4-dien-1-yl-5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123766277
7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole
CID 169060501
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146337596
N-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 155440841
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
7,7-dimethyl-5-(8-methylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 155130310

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine (CID 123414331) is N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine is CCC=C(C=CCN(c1ccc(C2C=CC=CC2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1oc1c(-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)cccc12.
What is the InChIKey of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is WGWLRMJKTLWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2O/c1-6-19-45(22-18-39-68(46-35-33-44(34-36-46)43-20-8-7-9-21-43)47-37-38-51-49-23-10-13-29-57(49)66(2,3)59(51)40-47)48-26-16-27-53-54-28-17-32-62(65(54)70-64(48)53)69-61-31-15-12-25-52(61)56-41-55-50-24-11-14-30-58(50)67(4,5)60(55)42-63(56)69/h7-20,22-38,40-43H,6,21,39H2,1-5H3.
What are the key properties of N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine?
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 905.20 g/mol, XLogP of 18.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-[6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)dibenzofuran-4-yl]hepta-2,4-dienyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 123414331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).