N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine

C62H40N2O — CID 139545244

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)c1
InChIInChI=1S/C62H40N2O/c1-2-16-50-43(13-1)31-32-45-35-38-49(40-57(45)50)63(48-15-11-14-46(39-48)52-21-12-22-56-55-20-6-10-26-61(55)65-62(52)56)47-36-33-42(34-37-47)41-27-29-44(30-28-41)51-17-3-7-23-58(51)64-59-24-8-4-18-53(59)54-19-5-9-25-60(54)64/h1-40H
InChIKeyGBBMMMZKEHFOPQ-UHFFFAOYSA-N
MW829.02 g/mol
LogP17.46
Rot. Bonds7

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine (PubChem CID 139545244) has the molecular formula C62H40N2O and a molecular weight of 829.02 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine
PubChem CID139545244
Molecular FormulaC62H40N2O
Molecular Weight829.02 g/mol
Exact Mass828.31
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)c1
InChIInChI=1S/C62H40N2O/c1-2-16-50-43(13-1)31-32-45-35-38-49(40-57(45)50)63(48-15-11-14-46(39-48)52-21-12-22-56-55-20-6-10-26-61(55)65-62(52)56)47-36-33-42(34-37-47)41-27-29-44(30-28-41)51-17-3-7-23-58(51)64-59-24-8-4-18-53(59)54-19-5-9-25-60(54)64/h1-40H
InChIKeyGBBMMMZKEHFOPQ-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-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-2-amine
CID 139545045
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)phenanthren-3-amine
CID 139544784
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-3-phenanthren-2-ylaniline
CID 139544384
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547
3-(2-carbazol-9-ylphenyl)-N-[3-[6-[10-[3-[3-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)anilino]phenyl]phenanthren-3-yl]dibenzofuran-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
CID 139544391
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139544637
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-2-phenanthren-2-ylaniline
CID 139544505
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 139545447

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine (CID 139545244) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c2ccc3ccc4ccccc4c3c2)c1.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine?
The InChIKey is GBBMMMZKEHFOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-16-50-43(13-1)31-32-45-35-38-49(40-57(45)50)63(48-15-11-14-46(39-48)52-21-12-22-56-55-20-6-10-26-61(55)65-62(52)56)47-36-33-42(34-37-47)41-27-29-44(30-28-41)51-17-3-7-23-58(51)64-59-24-8-4-18-53(59)54-19-5-9-25-60(54)64/h1-40H.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-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-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)phenanthren-3-amine is sourced from PubChem (CID 139545244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).