N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline

C58H38N2O — CID 170926661

IUPACN-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-2-11-39(12-3-1)40-21-30-45(31-22-40)59(47-36-27-44(28-37-47)50-17-10-18-52-51-15-7-9-20-56(51)61-58(50)52)46-32-23-41(24-33-46)42-25-34-48(35-26-42)60-54-19-8-6-16-53(54)57-49-14-5-4-13-43(49)29-38-55(57)60/h1-38H
InChIKeyQJEOTLJOXCWKRX-UHFFFAOYSA-N
MW778.96 g/mol
LogP16.31
Rot. Bonds7

About N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline

N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline (PubChem CID 170926661) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
PubChem CID170926661
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC NameN-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C58H38N2O/c1-2-11-39(12-3-1)40-21-30-45(31-22-40)59(47-36-27-44(28-37-47)50-17-10-18-52-51-15-7-9-20-56(51)61-58(50)52)46-32-23-41(24-33-46)42-25-34-48(35-26-42)60-54-19-8-6-16-53(54)57-49-14-5-4-13-43(49)29-38-55(57)60/h1-38H
InChIKeyQJEOTLJOXCWKRX-UHFFFAOYSA-N
XLogP16.31
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorocarbazol-9-yl)phenyl]-4-naphthalen-2-ylaniline
CID 169073776
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804792
7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
CID 126628525

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline (CID 170926661) is N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
The InChIKey is QJEOTLJOXCWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-2-11-39(12-3-1)40-21-30-45(31-22-40)59(47-36-27-44(28-37-47)50-17-10-18-52-51-15-7-9-20-56(51)61-58(50)52)46-32-23-41(24-33-46)42-25-34-48(35-26-42)60-54-19-8-6-16-53(54)57-49-14-5-4-13-43(49)29-38-55(57)60/h1-38H.
What are the key properties of N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline?
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline has a molecular weight of 778.96 g/mol, XLogP of 16.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 170926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).