4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline

C84H54N4O2 — CID 58510759

IUPAC4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C84H54N4O2/c1-7-19-77-69(13-1)70-14-2-8-20-78(70)87(77)67-47-43-65(44-48-67)86(66-45-49-68(50-46-66)88-79-21-9-3-15-71(79)72-16-4-10-22-80(72)88)62-37-27-56(28-38-62)55-25-35-61(36-26-55)85(63-39-29-57(30-40-63)59-33-51-83-75(53-59)73-17-5-11-23-81(73)89-83)64-41-31-58(32-42-64)60-34-52-84-76(54-60)74-18-6-12-24-82(74)90-84/h1-54H
InChIKeyKSXRHZBGRRQVQD-UHFFFAOYSA-N
MW1151.38 g/mol
LogP23.62
Rot. Bonds11

About 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline

4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline (PubChem CID 58510759) has the molecular formula C84H54N4O2 and a molecular weight of 1151.38 g/mol. Its IUPAC name is 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
PubChem CID58510759
Molecular FormulaC84H54N4O2
Molecular Weight1151.38 g/mol
Exact Mass1150.42
IUPAC Name4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc12
InChIInChI=1S/C84H54N4O2/c1-7-19-77-69(13-1)70-14-2-8-20-78(70)87(77)67-47-43-65(44-48-67)86(66-45-49-68(50-46-66)88-79-21-9-3-15-71(79)72-16-4-10-22-80(72)88)62-37-27-56(28-38-62)55-25-35-61(36-26-55)85(63-39-29-57(30-40-63)59-33-51-83-75(53-59)73-17-5-11-23-81(73)89-83)64-41-31-58(32-42-64)60-34-52-84-76(54-60)74-18-6-12-24-82(74)90-84/h1-54H
InChIKeyKSXRHZBGRRQVQD-UHFFFAOYSA-N
XLogP23.62
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.38
LogP ≤ 523.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 146578329
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
5-carbazol-9-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118605166
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 121443776

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline?
The IUPAC name of 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline (CID 58510759) is 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline.
What is the SMILES notation for 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline?
The canonical SMILES for 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline is c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc12.
What is the InChIKey of 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline?
The InChIKey is KSXRHZBGRRQVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4O2/c1-7-19-77-69(13-1)70-14-2-8-20-78(70)87(77)67-47-43-65(44-48-67)86(66-45-49-68(50-46-66)88-79-21-9-3-15-71(79)72-16-4-10-22-80(72)88)62-37-27-56(28-38-62)55-25-35-61(36-26-55)85(63-39-29-57(30-40-63)59-33-51-83-75(53-59)73-17-5-11-23-81(73)89-83)64-41-31-58(32-42-64)60-34-52-84-76(54-60)74-18-6-12-24-82(74)90-84/h1-54H.
What are the key properties of 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline?
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline has a molecular weight of 1151.38 g/mol, XLogP of 23.62, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline is sourced from PubChem (CID 58510759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).