N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine

C60H40N2O — CID 172502401

IUPACN-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-17-41(18-3-1)42-33-35-43(36-34-42)46-19-4-5-20-47(46)48-21-6-7-22-49(48)50-23-8-12-28-55(50)62(58-31-16-27-54-53-26-11-15-32-59(53)63-60(54)58)45-39-37-44(38-40-45)61-56-29-13-9-24-51(56)52-25-10-14-30-57(52)61/h1-40H
InChIKeyZKTOWRQWVMQCPT-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine

N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 172502401) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
PubChem CID172502401
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-17-41(18-3-1)42-33-35-43(36-34-42)46-19-4-5-20-47(46)48-21-6-7-22-49(48)50-23-8-12-28-55(50)62(58-31-16-27-54-53-26-11-15-32-59(53)63-60(54)58)45-39-37-44(38-40-45)61-56-29-13-9-24-51(56)52-25-10-14-30-57(52)61/h1-40H
InChIKeyZKTOWRQWVMQCPT-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-(4-carbazol-9-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501190
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 164822786
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)aniline
CID 139544595
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503050
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788477
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 155649255
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine (CID 172502401) is N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is ZKTOWRQWVMQCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-17-41(18-3-1)42-33-35-43(36-34-42)46-19-4-5-20-47(46)48-21-6-7-22-49(48)50-23-8-12-28-55(50)62(58-31-16-27-54-53-26-11-15-32-59(53)63-60(54)58)45-39-37-44(38-40-45)61-56-29-13-9-24-51(56)52-25-10-14-30-57(52)61/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine?
N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 172502401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).