2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine

C62H40N2O2 — CID 162490088

IUPAC2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)oc5cc(-c7ccccc7)ccc56)c5c(ccc6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C62H40N2O2/c1-5-15-41(16-6-1)44-27-31-53-55-33-29-49(39-60(55)65-58(53)36-44)63(47-20-9-3-10-21-47)51-35-46-26-25-43-19-13-14-24-52(43)62(46)57(38-51)64(48-22-11-4-12-23-48)50-30-34-56-54-32-28-45(42-17-7-2-8-18-42)37-59(54)66-61(56)40-50/h1-40H
InChIKeyYXOWBBJIFTZXGJ-UHFFFAOYSA-N
MW845.01 g/mol
LogP18.07
Rot. Bonds8

About 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine

2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine (PubChem CID 162490088) has the molecular formula C62H40N2O2 and a molecular weight of 845.01 g/mol. Its IUPAC name is 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine
PubChem CID162490088
Molecular FormulaC62H40N2O2
Molecular Weight845.01 g/mol
Exact Mass844.31
IUPAC Name2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine
SMILESc1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)oc5cc(-c7ccccc7)ccc56)c5c(ccc6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C62H40N2O2/c1-5-15-41(16-6-1)44-27-31-53-55-33-29-49(39-60(55)65-58(53)36-44)63(47-20-9-3-10-21-47)51-35-46-26-25-43-19-13-14-24-52(43)62(46)57(38-51)64(48-22-11-4-12-23-48)50-30-34-56-54-32-28-45(42-17-7-2-8-18-42)37-59(54)66-61(56)40-50/h1-40H
InChIKeyYXOWBBJIFTZXGJ-UHFFFAOYSA-N
XLogP18.07
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.01
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856411
2-N-(3-naphthalen-2-ylphenyl)-4-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-N,4-N-diphenylphenanthrene-2,4-diamine
CID 162490064
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-benzo[c]phenanthren-5-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167181669
11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856034
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167086989
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine?
The IUPAC name of 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine (CID 162490088) is 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine.
What is the SMILES notation for 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine?
The canonical SMILES for 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine is c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccc6c(c5)oc5cc(-c7ccccc7)ccc56)c5c(ccc6ccccc65)c4)ccc23)cc1.
What is the InChIKey of 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine?
The InChIKey is YXOWBBJIFTZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2O2/c1-5-15-41(16-6-1)44-27-31-53-55-33-29-49(39-60(55)65-58(53)36-44)63(47-20-9-3-10-21-47)51-35-46-26-25-43-19-13-14-24-52(43)62(46)57(38-51)64(48-22-11-4-12-23-48)50-30-34-56-54-32-28-45(42-17-7-2-8-18-42)37-59(54)66-61(56)40-50/h1-40H.
What are the key properties of 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine?
2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine has a molecular weight of 845.01 g/mol, XLogP of 18.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine is sourced from PubChem (CID 162490088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).