N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline

C60H39NO — CID 170127479

IUPACN-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccc5ccc6oc7ccccc7c6c5c4)c3)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C60H39NO/c1-2-13-41(14-3-1)51-19-8-10-23-57(51)61(49-34-29-42(30-35-49)55-39-47-15-4-5-18-50(47)52-20-6-7-21-53(52)55)48-32-27-40(28-33-48)44-16-12-17-45(37-44)46-26-25-43-31-36-59-60(56(43)38-46)54-22-9-11-24-58(54)62-59/h1-39H
InChIKeyOMCBGDPGYVFGOP-UHFFFAOYSA-N
MW789.98 g/mol
LogP17.18
Rot. Bonds7

About N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline

N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline (PubChem CID 170127479) has the molecular formula C60H39NO and a molecular weight of 789.98 g/mol. Its IUPAC name is N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
PubChem CID170127479
Molecular FormulaC60H39NO
Molecular Weight789.98 g/mol
Exact Mass789.30
IUPAC NameN-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccc5ccc6oc7ccccc7c6c5c4)c3)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C60H39NO/c1-2-13-41(14-3-1)51-19-8-10-23-57(51)61(49-34-29-42(30-35-49)55-39-47-15-4-5-18-50(47)52-20-6-7-21-53(52)55)48-32-27-40(28-33-48)44-16-12-17-45(37-44)46-26-25-43-31-36-59-60(56(43)38-46)54-22-9-11-24-58(54)62-59/h1-39H
InChIKeyOMCBGDPGYVFGOP-UHFFFAOYSA-N
XLogP17.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
N-(4-dibenzofuran-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810603
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-1-yl-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810675
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
N-(4-dibenzofuran-1-ylphenyl)-N,2-bis(4-phenanthren-3-ylphenyl)aniline
CID 176810395
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-[2-[2-(4-naphtho[2,1-b][1]benzofuran-5-yl-N-phenanthren-9-ylanilino)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-7-phenylphenanthren-2-amine
CID 167086665
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810414
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenanthren-2-ylphenyl)aniline
CID 176810686

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline (CID 170127479) is N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccc5ccc6oc7ccccc7c6c5c4)c3)cc2)c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
The InChIKey is OMCBGDPGYVFGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO/c1-2-13-41(14-3-1)51-19-8-10-23-57(51)61(49-34-29-42(30-35-49)55-39-47-15-4-5-18-50(47)52-20-6-7-21-53(52)55)48-32-27-40(28-33-48)44-16-12-17-45(37-44)46-26-25-43-31-36-59-60(56(43)38-46)54-22-9-11-24-58(54)62-59/h1-39H.
What are the key properties of N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline?
N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline has a molecular weight of 789.98 g/mol, XLogP of 17.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphtho[2,1-b][1]benzofuran-2-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 170127479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).