N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline

C72H52N2O2 — CID 163594248

IUPACN-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
SMILESC1=CC(c2ccc(N(c3ccc(C4=CC(c5cccc6c5oc5ccccc56)CC=C4)cc3)C3C=CC(c4cccc(-n5c6ccccc6c6ccccc65)c4)=CC3)cc2)=CC(c2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C72H52N2O2/c1-5-28-67-61(20-1)62-21-2-6-29-68(62)74(67)58-19-11-16-52(46-58)49-36-42-57(43-37-49)73(55-38-32-47(33-39-55)50-14-9-17-53(44-50)59-24-12-26-65-63-22-3-7-30-69(63)75-71(59)65)56-40-34-48(35-41-56)51-15-10-18-54(45-51)60-25-13-27-66-64-23-4-8-31-70(64)76-72(60)66/h1-16,19-42,44-46,53-54,57H,17-18,43H2
InChIKeyGSAUEOUEKOSLCQ-UHFFFAOYSA-N
MW977.22 g/mol
LogP19.39
Rot. Bonds9

About N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline (PubChem CID 163594248) has the molecular formula C72H52N2O2 and a molecular weight of 977.22 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
PubChem CID163594248
Molecular FormulaC72H52N2O2
Molecular Weight977.22 g/mol
Exact Mass976.40
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
SMILESC1=CC(c2ccc(N(c3ccc(C4=CC(c5cccc6c5oc5ccccc56)CC=C4)cc3)C3C=CC(c4cccc(-n5c6ccccc6c6ccccc65)c4)=CC3)cc2)=CC(c2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C72H52N2O2/c1-5-28-67-61(20-1)62-21-2-6-29-68(62)74(67)58-19-11-16-52(46-58)49-36-42-57(43-37-49)73(55-38-32-47(33-39-55)50-14-9-17-53(44-50)59-24-12-26-65-63-22-3-7-30-69(63)75-71(59)65)56-40-34-48(35-41-56)51-15-10-18-54(45-51)60-25-13-27-66-64-23-4-8-31-70(64)76-72(60)66/h1-16,19-42,44-46,53-54,57H,17-18,43H2
InChIKeyGSAUEOUEKOSLCQ-UHFFFAOYSA-N
XLogP19.39
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.22
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
CID 71164662
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
4-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]aniline
CID 167211262
N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzothiophen-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814664
N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 167278207
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline (CID 163594248) is N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline is C1=CC(c2ccc(N(c3ccc(C4=CC(c5cccc6c5oc5ccccc56)CC=C4)cc3)C3C=CC(c4cccc(-n5c6ccccc6c6ccccc65)c4)=CC3)cc2)=CC(c2cccc3c2oc2ccccc23)C1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline?
The InChIKey is GSAUEOUEKOSLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2O2/c1-5-28-67-61(20-1)62-21-2-6-29-68(62)74(67)58-19-11-16-52(46-58)49-36-42-57(43-37-49)73(55-38-32-47(33-39-55)50-14-9-17-53(44-50)59-24-12-26-65-63-22-3-7-30-69(63)75-71(59)65)56-40-34-48(35-41-56)51-15-10-18-54(45-51)60-25-13-27-66-64-23-4-8-31-70(64)76-72(60)66/h1-16,19-42,44-46,53-54,57H,17-18,43H2.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline has a molecular weight of 977.22 g/mol, XLogP of 19.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline is sourced from PubChem (CID 163594248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).