N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C66H43N3O — CID 58510680

IUPACN-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7[nH]c7ccccc78)cc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C66H43N3O/c1-2-12-49(13-3-1)69-62-22-8-5-15-56(62)60-42-48(34-41-63(60)69)45-26-24-43(25-27-45)44-28-35-50(36-29-44)68(51-37-30-46(31-38-51)53-17-10-19-58-55-14-4-7-21-61(55)67-65(53)58)52-39-32-47(33-40-52)54-18-11-20-59-57-16-6-9-23-64(57)70-66(54)59/h1-42,67H
InChIKeyBBNJUSRBYQGLLM-UHFFFAOYSA-N
MW894.09 g/mol
LogP18.46
Rot. Bonds8

About N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 58510680) 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]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID58510680
Molecular FormulaC66H43N3O
Molecular Weight894.09 g/mol
Exact Mass893.34
IUPAC NameN-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7[nH]c7ccccc78)cc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C66H43N3O/c1-2-12-49(13-3-1)69-62-22-8-5-15-56(62)60-42-48(34-41-63(60)69)45-26-24-43(25-27-45)44-28-35-50(36-29-44)68(51-37-30-46(31-38-51)53-17-10-19-58-55-14-4-7-21-61(55)67-65(53)58)52-39-32-47(33-40-52)54-18-11-20-59-57-16-6-9-23-64(57)70-66(54)59/h1-42,67H
InChIKeyBBNJUSRBYQGLLM-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

4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-[4-(9H-carbazol-1-yl)phenyl]-8-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163951698
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
9-[4-(9H-carbazol-1-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 141087826

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 58510680) is N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7cccc8c7[nH]c7ccccc78)cc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is BBNJUSRBYQGLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3O/c1-2-12-49(13-3-1)69-62-22-8-5-15-56(62)60-42-48(34-41-63(60)69)45-26-24-43(25-27-45)44-28-35-50(36-29-44)68(51-37-30-46(31-38-51)53-17-10-19-58-55-14-4-7-21-61(55)67-65(53)58)52-39-32-47(33-40-52)54-18-11-20-59-57-16-6-9-23-64(57)70-66(54)59/h1-42,67H.
What are the key properties of N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-[4-(9H-carbazol-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline 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]-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 58510680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).