N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine

C54H34N2O — CID 129085164

IUPACN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-12-37(13-3-1)56-51-20-10-8-18-46(51)50-32-36(24-31-52(50)56)35-22-25-38(26-23-35)55(40-28-30-48-47-19-9-11-21-53(47)57-54(48)34-40)39-27-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)49(45)33-39/h1-34H
InChIKeyZHRPBRHYEJHBDW-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine (PubChem CID 129085164) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
PubChem CID129085164
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-12-37(13-3-1)56-51-20-10-8-18-46(51)50-32-36(24-31-52(50)56)35-22-25-38(26-23-35)55(40-28-30-48-47-19-9-11-21-53(47)57-54(48)34-40)39-27-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)49(45)33-39/h1-34H
InChIKeyZHRPBRHYEJHBDW-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
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-(6-dibenzofuran-2-yl-9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 90194656
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-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591
N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 90321281
N-dibenzofuran-3-yl-N-(4-dibenzoselenophen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 158632127
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine (CID 129085164) is N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine?
The InChIKey is ZHRPBRHYEJHBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-12-37(13-3-1)56-51-20-10-8-18-46(51)50-32-36(24-31-52(50)56)35-22-25-38(26-23-35)55(40-28-30-48-47-19-9-11-21-53(47)57-54(48)34-40)39-27-29-45-43-16-5-4-14-41(43)42-15-6-7-17-44(42)49(45)33-39/h1-34H.
What are the key properties of N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine?
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 129085164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).