N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

C71H50N2O — CID 167194888

IUPACN-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
SMILESC=C(/C=C\C=C(/C)c1cccc(-c2cccc3c2c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c1)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C71H50N2O/c1-48(56-22-13-23-57(46-56)63-28-15-30-68-71(63)65-26-8-10-29-67(65)73(68)60-44-45-70-66(47-60)64-25-9-11-31-69(64)74-70)16-12-17-49(2)72(58-40-36-52(37-41-58)50-18-4-3-5-19-50)59-42-38-53(39-43-59)51-32-34-55(35-33-51)62-27-14-21-54-20-6-7-24-61(54)62/h3-47H,2H2,1H3/b17-12-,48-16+
InChIKeyGGIDAALTTDSKBP-UXGCEHAUSA-N
MW947.19 g/mol
LogP19.82
Rot. Bonds11

About N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline

N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 167194888) has the molecular formula C71H50N2O and a molecular weight of 947.19 g/mol. Its IUPAC name is N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
PubChem CID167194888
Molecular FormulaC71H50N2O
Molecular Weight947.19 g/mol
Exact Mass946.39
IUPAC NameN-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
SMILESC=C(/C=C\C=C(/C)c1cccc(-c2cccc3c2c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c1)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C71H50N2O/c1-48(56-22-13-23-57(46-56)63-28-15-30-68-71(63)65-26-8-10-29-67(65)73(68)60-44-45-70-66(47-60)64-25-9-11-31-69(64)74-70)16-12-17-49(2)72(58-40-36-52(37-41-58)50-18-4-3-5-19-50)59-42-38-53(39-43-59)51-32-34-55(35-33-51)62-27-14-21-54-20-6-7-24-61(54)62/h3-47H,2H2,1H3/b17-12-,48-16+
InChIKeyGGIDAALTTDSKBP-UXGCEHAUSA-N
XLogP19.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.19
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
9-[8-[(2E,4Z)-6-(8-carbazol-9-yldibenzofuran-2-yl)hepta-2,4,6-trien-2-yl]dibenzofuran-2-yl]carbazole
CID 135258643
2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659838
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
9-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 167061566
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687
9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556117
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167234931

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline (CID 167194888) is N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is C=C(/C=C\C=C(/C)c1cccc(-c2cccc3c2c2ccccc2n3-c2ccc3oc4ccccc4c3c2)c1)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is GGIDAALTTDSKBP-UXGCEHAUSA-N. The full InChI is InChI=1S/C71H50N2O/c1-48(56-22-13-23-57(46-56)63-28-15-30-68-71(63)65-26-8-10-29-67(65)73(68)60-44-45-70-66(47-60)64-25-9-11-31-69(64)74-70)16-12-17-49(2)72(58-40-36-52(37-41-58)50-18-4-3-5-19-50)59-42-38-53(39-43-59)51-32-34-55(35-33-51)62-27-14-21-54-20-6-7-24-61(54)62/h3-47H,2H2,1H3/b17-12-,48-16+.
What are the key properties of N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline?
N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 947.19 g/mol, XLogP of 19.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]hepta-1,3,5-trien-2-yl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 167194888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).