N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine

C62H39NO2 — CID 168805044

IUPACN-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)c5ccc6ccc7ccccc7c6c5)cc4)cc23)cc1
InChIInChI=1S/C62H39NO2/c1-3-13-41(14-4-1)51-21-11-26-56-58-38-45(32-36-59(58)64-60(51)56)40-29-33-47(34-30-40)63(49-35-31-44-28-27-43-17-7-8-20-50(43)57(44)39-49)48-19-9-18-46(37-48)53-23-12-25-55-54-24-10-22-52(61(54)65-62(53)55)42-15-5-2-6-16-42/h1-39H
InChIKeyNQPBAASJTJHUBM-UHFFFAOYSA-N
MW830.00 g/mol
LogP17.93
Rot. Bonds7

About N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine

N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine (PubChem CID 168805044) has the molecular formula C62H39NO2 and a molecular weight of 830.00 g/mol. Its IUPAC name is N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
PubChem CID168805044
Molecular FormulaC62H39NO2
Molecular Weight830.00 g/mol
Exact Mass829.30
IUPAC NameN-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)c5ccc6ccc7ccccc7c6c5)cc4)cc23)cc1
InChIInChI=1S/C62H39NO2/c1-3-13-41(14-4-1)51-21-11-26-56-58-38-45(32-36-59(58)64-60(51)56)40-29-33-47(34-30-40)63(49-35-31-44-28-27-43-17-7-8-20-50(43)57(44)39-49)48-19-9-18-46(37-48)53-23-12-25-55-54-24-10-22-52(61(54)65-62(53)55)42-15-5-2-6-16-42/h1-39H
InChIKeyNQPBAASJTJHUBM-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 517.93
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-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 137392444
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N-(4-dibenzofuran-4-ylphenyl)-3-phenanthren-3-yl-N-(3-phenanthren-3-ylphenyl)aniline
CID 142614641
N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-[4-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 158862131
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-2-amine
CID 168804810
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N-(4-dibenzofuran-4-ylphenyl)-3-fluoranthen-3-yl-N-(4-phenanthren-3-ylphenyl)aniline
CID 166875413

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine?
The IUPAC name of N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine (CID 168805044) is N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)c5ccc6ccc7ccccc7c6c5)cc4)cc23)cc1.
What is the InChIKey of N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine?
The InChIKey is NQPBAASJTJHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO2/c1-3-13-41(14-4-1)51-21-11-26-56-58-38-45(32-36-59(58)64-60(51)56)40-29-33-47(34-30-40)63(49-35-31-44-28-27-43-17-7-8-20-50(43)57(44)39-49)48-19-9-18-46(37-48)53-23-12-25-55-54-24-10-22-52(61(54)65-62(53)55)42-15-5-2-6-16-42/h1-39H.
What are the key properties of N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine?
N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine has a molecular weight of 830.00 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 168805044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).