N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline

C60H40N2O — CID 164724975

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)c3c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-14-41(15-4-1)46-34-39-53-52-19-8-11-24-57(52)62(58(53)40-46)56-23-10-7-18-50(56)44-28-26-42(27-29-44)43-30-35-48(36-31-43)61(47-16-5-2-6-17-47)49-37-32-45(33-38-49)51-21-13-22-55-54-20-9-12-25-59(54)63-60(51)55/h1-40H
InChIKeyQBUZSQDDFZMXCV-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline (PubChem CID 164724975) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
PubChem CID164724975
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)c3c2)cc1
InChIInChI=1S/C60H40N2O/c1-3-14-41(15-4-1)46-34-39-53-52-19-8-11-24-57(52)62(58(53)40-46)56-23-10-7-18-50(56)44-28-26-42(27-29-44)43-30-35-48(36-31-43)61(47-16-5-2-6-17-47)49-37-32-45(33-38-49)51-21-13-22-55-54-20-9-12-25-59(54)63-60(51)55/h1-40H
InChIKeyQBUZSQDDFZMXCV-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

3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenylaniline;N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165008795
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-(2-iodocarbazol-9-yl)phenyl]phenyl]-3-phenylaniline
CID 170244104
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545367
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-phenylaniline;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]naphthalen-1-amine;N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157284109

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline (CID 164724975) is N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)c3c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline?
The InChIKey is QBUZSQDDFZMXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-14-41(15-4-1)46-34-39-53-52-19-8-11-24-57(52)62(58(53)40-46)56-23-10-7-18-50(56)44-28-26-42(27-29-44)43-30-35-48(36-31-43)61(47-16-5-2-6-17-47)49-37-32-45(33-38-49)51-21-13-22-55-54-20-9-12-25-59(54)63-60(51)55/h1-40H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline 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-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 164724975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).