N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine

C62H40N2O — CID 155398009

IUPACN-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine
SMILESc1ccc2c(c1)ccc1cccc(N(c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c12
InChIInChI=1S/C62H40N2O/c1-2-13-51-45(11-1)27-28-47-12-9-20-58(61(47)51)63(49-39-33-46(34-40-49)52-17-10-22-60-62(52)55-16-5-8-21-59(55)65-60)48-35-29-43(30-36-48)41-23-25-42(26-24-41)44-31-37-50(38-32-44)64-56-18-6-3-14-53(56)54-15-4-7-19-57(54)64/h1-40H
InChIKeyWKOSKAZPASFMEJ-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine

N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine (PubChem CID 155398009) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine.

Molecular Properties

Compound NameN-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine
PubChem CID155398009
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine
SMILESc1ccc2c(c1)ccc1cccc(N(c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c12
InChIInChI=1S/C62H40N2O/c1-2-13-51-45(11-1)27-28-47-12-9-20-58(61(47)51)63(49-39-33-46(34-40-49)52-17-10-22-60-62(52)55-16-5-8-21-59(55)65-60)48-35-29-43(30-36-48)41-23-25-42(26-24-41)44-31-37-50(38-32-44)64-56-18-6-3-14-53(56)54-15-4-7-19-57(54)64/h1-40H
InChIKeyWKOSKAZPASFMEJ-UHFFFAOYSA-N
XLogP17.46
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 517.46
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-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)phenanthren-3-amine
CID 155398716
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 155398735
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155397994
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-2-amine;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-3-amine;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)triphenylen-2-amine
CID 159897303
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325205
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 155398542
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-naphthalen-2-ylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-2-ylaniline
CID 157152431
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 155398157
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine?
The IUPAC name of N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine (CID 155398009) is N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine.
What is the SMILES notation for N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine?
The canonical SMILES for N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine is c1ccc2c(c1)ccc1cccc(N(c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc3)c3ccc(-c4cccc5oc6ccccc6c45)cc3)c12.
What is the InChIKey of N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine?
The InChIKey is WKOSKAZPASFMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-13-51-45(11-1)27-28-47-12-9-20-58(61(47)51)63(49-39-33-46(34-40-49)52-17-10-22-60-62(52)55-16-5-8-21-59(55)65-60)48-35-29-43(30-36-48)41-23-25-42(26-24-41)44-31-37-50(38-32-44)64-56-18-6-3-14-53(56)54-15-4-7-19-57(54)64/h1-40H.
What are the key properties of N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine?
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine has a molecular weight of 829.02 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)phenanthren-4-amine is sourced from PubChem (CID 155398009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).