N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine

C60H40N2O — CID 168788939

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-17-42(18-4-1)48-23-7-8-27-53(48)60-49(43-19-5-2-6-20-43)28-16-31-57(60)61(47-37-38-59-54(40-47)52-26-11-14-32-58(52)63-59)45-35-33-41(34-36-45)44-21-15-22-46(39-44)62-55-29-12-9-24-50(55)51-25-10-13-30-56(51)62/h1-40H
InChIKeyWVBMDGDLFHKQDG-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 168788939) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID168788939
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-17-42(18-4-1)48-23-7-8-27-53(48)60-49(43-19-5-2-6-20-43)28-16-31-57(60)61(47-37-38-59-54(40-47)52-26-11-14-32-58(52)63-59)45-35-33-41(34-36-45)44-21-15-22-46(39-44)62-55-29-12-9-24-50(55)51-25-10-13-30-56(51)62/h1-40H
InChIKeyWVBMDGDLFHKQDG-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-(2-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168788525
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790977
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 155398441
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789351
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331
3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665542
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167234931
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789749
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 168788939) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is WVBMDGDLFHKQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-17-42(18-4-1)48-23-7-8-27-53(48)60-49(43-19-5-2-6-20-43)28-16-31-57(60)61(47-37-38-59-54(40-47)52-26-11-14-32-58(52)63-59)45-35-33-41(34-36-45)44-21-15-22-46(39-44)62-55-29-12-9-24-50(55)51-25-10-13-30-56(51)62/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-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-(3-carbazol-9-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 168788939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).