N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

C66H43N3O — CID 163951698

IUPACN-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5[nH]c5ccccc56)cc4)c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)cc3)c2)cc1
InChIInChI=1S/C66H43N3O/c1-3-14-43(15-4-1)46-16-11-17-47(40-46)44-28-34-51(35-29-44)68(52-36-30-45(31-37-52)53-22-12-23-56-54-20-7-9-24-59(54)67-66(53)56)62-26-13-27-64-65(62)58-42-49(33-39-63(58)70-64)48-32-38-61-57(41-48)55-21-8-10-25-60(55)69(61)50-18-5-2-6-19-50/h1-42,67H
InChIKeyAMNVZMSJGVZWSR-UHFFFAOYSA-N
MW894.09 g/mol
LogP18.46
Rot. Bonds8

About N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine

N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 163951698) has the molecular formula C66H43N3O and a molecular weight of 894.09 g/mol. Its IUPAC name is N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID163951698
Molecular FormulaC66H43N3O
Molecular Weight894.09 g/mol
Exact Mass893.34
IUPAC NameN-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5[nH]c5ccccc56)cc4)c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)cc3)c2)cc1
InChIInChI=1S/C66H43N3O/c1-3-14-43(15-4-1)46-16-11-17-47(40-46)44-28-34-51(35-29-44)68(52-36-30-45(31-37-52)53-22-12-23-56-54-20-7-9-24-59(54)67-66(53)56)62-26-13-27-64-65(62)58-42-49(33-39-63(58)70-64)48-32-38-61-57(41-48)55-21-8-10-25-60(55)69(61)50-18-5-2-6-19-50/h1-42,67H
InChIKeyAMNVZMSJGVZWSR-UHFFFAOYSA-N
XLogP18.46
TPSA37.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.09
LogP ≤ 518.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58510680
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
N-(2',7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138577333
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 141087826
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-amine
CID 138484698
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 89492312
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164822795
N-[4-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443574
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 163951698) is N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6c5[nH]c5ccccc56)cc4)c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c45)cc3)c2)cc1.
What is the InChIKey of N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is AMNVZMSJGVZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O/c1-3-14-43(15-4-1)46-16-11-17-47(40-46)44-28-34-51(35-29-44)68(52-36-30-45(31-37-52)53-22-12-23-56-54-20-7-9-24-59(54)67-66(53)56)62-26-13-27-64-65(62)58-42-49(33-39-63(58)70-64)48-32-38-61-57(41-48)55-21-8-10-25-60(55)69(61)50-18-5-2-6-19-50/h1-42,67H.
What are the key properties of N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 894.09 g/mol, XLogP of 18.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 163951698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).