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

C60H39N3O — CID 165374648

IUPAC6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)cc2)cc1
InChIInChI=1S/C60H39N3O/c1-3-14-40(15-4-1)41-26-31-45(32-27-41)61(46-33-28-42(29-34-46)43-30-37-57-53(38-43)50-20-9-10-22-54(50)62(57)44-16-5-2-6-17-44)47-35-36-51-52-21-13-25-58(60(52)64-59(51)39-47)63-55-23-11-7-18-48(55)49-19-8-12-24-56(49)63/h1-39H
InChIKeyACKIAJKTZKSDGB-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.58
Rot. Bonds7

About 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 165374648) has the molecular formula C60H39N3O and a molecular weight of 817.99 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID165374648
Molecular FormulaC60H39N3O
Molecular Weight817.99 g/mol
Exact Mass817.31
IUPAC Name6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)cc2)cc1
InChIInChI=1S/C60H39N3O/c1-3-14-40(15-4-1)41-26-31-45(32-27-41)61(46-33-28-42(29-34-46)43-30-37-57-53(38-43)50-20-9-10-22-54(50)62(57)44-16-5-2-6-17-44)47-35-36-51-52-21-13-25-58(60(52)64-59(51)39-47)63-55-23-11-7-18-48(55)49-19-8-12-24-56(49)63/h1-39H
InChIKeyACKIAJKTZKSDGB-UHFFFAOYSA-N
XLogP16.58
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N-[4-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
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

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 165374648) is 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)oc3c(-n5c6ccccc6c6ccccc65)cccc34)cc2)cc1.
What is the InChIKey of 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ACKIAJKTZKSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O/c1-3-14-40(15-4-1)41-26-31-45(32-27-41)61(46-33-28-42(29-34-46)43-30-37-57-53(38-43)50-20-9-10-22-54(50)62(57)44-16-5-2-6-17-44)47-35-36-51-52-21-13-25-58(60(52)64-59(51)39-47)63-55-23-11-7-18-48(55)49-19-8-12-24-56(49)63/h1-39H.
What are the key properties of 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 817.99 g/mol, XLogP of 16.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165374648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).