4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline

C73H48N2O — CID 164769104

IUPAC4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5cccc6c5oc5ccccc56)cc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H48N2O/c1-3-16-54(17-4-1)73(55-39-30-52(31-40-55)60-24-15-25-66-65-23-10-14-29-71(65)76-72(60)66)67-26-11-7-20-61(67)62-47-38-53(48-68(62)73)51-36-43-58(44-37-51)74(56-18-5-2-6-19-56)57-41-32-49(33-42-57)50-34-45-59(46-35-50)75-69-27-12-8-21-63(69)64-22-9-13-28-70(64)75/h1-48H
InChIKeyIPDCNCKAZIATLT-UHFFFAOYSA-N
MW969.20 g/mol
LogP19.52
Rot. Bonds9

About 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline

4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline (PubChem CID 164769104) has the molecular formula C73H48N2O and a molecular weight of 969.20 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
PubChem CID164769104
Molecular FormulaC73H48N2O
Molecular Weight969.20 g/mol
Exact Mass968.38
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5cccc6c5oc5ccccc56)cc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H48N2O/c1-3-16-54(17-4-1)73(55-39-30-52(31-40-55)60-24-15-25-66-65-23-10-14-29-71(65)76-72(60)66)67-26-11-7-20-61(67)62-47-38-53(48-68(62)73)51-36-43-58(44-37-51)74(56-18-5-2-6-19-56)57-41-32-49(33-42-57)50-34-45-59(46-35-50)75-69-27-12-8-21-63(69)64-22-9-13-28-70(64)75/h1-48H
InChIKeyIPDCNCKAZIATLT-UHFFFAOYSA-N
XLogP19.52
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms76
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.20
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline (CID 164769104) is 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccc(-c5cccc6c5oc5ccccc56)cc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline?
The InChIKey is IPDCNCKAZIATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2O/c1-3-16-54(17-4-1)73(55-39-30-52(31-40-55)60-24-15-25-66-65-23-10-14-29-71(65)76-72(60)66)67-26-11-7-20-61(67)62-47-38-53(48-68(62)73)51-36-43-58(44-37-51)74(56-18-5-2-6-19-56)57-41-32-49(33-42-57)50-34-45-59(46-35-50)75-69-27-12-8-21-63(69)64-22-9-13-28-70(64)75/h1-48H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline?
4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline has a molecular weight of 969.20 g/mol, XLogP of 19.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline is sourced from PubChem (CID 164769104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).