7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine

C60H39N3O2 — CID 170410174

IUPAC7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C60H39N3O2/c1-4-15-40(16-5-1)41-17-14-22-44(35-41)62(47-28-31-51-50-24-11-13-26-57(50)64-58(51)38-47)48-29-33-53-52-32-27-46(37-59(52)65-60(53)39-48)61(42-18-6-2-7-19-42)45-30-34-56-54(36-45)49-23-10-12-25-55(49)63(56)43-20-8-3-9-21-43/h1-39H
InChIKeyZCWVDJZNZQMQOK-UHFFFAOYSA-N
MW833.99 g/mol
LogP17.19
Rot. Bonds8

About 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine

7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine (PubChem CID 170410174) has the molecular formula C60H39N3O2 and a molecular weight of 833.99 g/mol. Its IUPAC name is 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
PubChem CID170410174
Molecular FormulaC60H39N3O2
Molecular Weight833.99 g/mol
Exact Mass833.30
IUPAC Name7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)c2)cc1
InChIInChI=1S/C60H39N3O2/c1-4-15-40(16-5-1)41-17-14-22-44(35-41)62(47-28-31-51-50-24-11-13-26-57(50)64-58(51)38-47)48-29-33-53-52-32-27-46(37-59(52)65-60(53)39-48)61(42-18-6-2-7-19-42)45-30-34-56-54(36-45)49-23-10-12-25-55(49)63(56)43-20-8-3-9-21-43/h1-39H
InChIKeyZCWVDJZNZQMQOK-UHFFFAOYSA-N
XLogP17.19
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.99
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine?
The IUPAC name of 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine (CID 170410174) is 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)c2)cc1.
What is the InChIKey of 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine?
The InChIKey is ZCWVDJZNZQMQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O2/c1-4-15-40(16-5-1)41-17-14-22-44(35-41)62(47-28-31-51-50-24-11-13-26-57(50)64-58(51)38-47)48-29-33-53-52-32-27-46(37-59(52)65-60(53)39-48)61(42-18-6-2-7-19-42)45-30-34-56-54(36-45)49-23-10-12-25-55(49)63(56)43-20-8-3-9-21-43/h1-39H.
What are the key properties of 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine?
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine has a molecular weight of 833.99 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 170410174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).