N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

C58H39NO2 — CID 167143336

IUPACN-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESC1=C(c2ccccc2)CCC(c2cccc3c2oc2c4ccccc4c(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)oc5ccccc56)cc4)cc32)=C1
InChIInChI=1S/C58H39NO2/c1-3-13-38(14-4-1)40-25-27-41(28-26-40)47-22-12-23-52-54-37-53(48-19-7-8-21-51(48)58(54)61-57(47)52)42-29-31-44(32-30-42)59(45-18-11-17-43(35-45)39-15-5-2-6-16-39)46-33-34-50-49-20-9-10-24-55(49)60-56(50)36-46/h1-25,27,29-37H,26,28H2
InChIKeyOJCXLCMCQVQXSV-UHFFFAOYSA-N
MW781.96 g/mol
LogP16.70
Rot. Bonds7

About N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine

N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 167143336) has the molecular formula C58H39NO2 and a molecular weight of 781.96 g/mol. Its IUPAC name is N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID167143336
Molecular FormulaC58H39NO2
Molecular Weight781.96 g/mol
Exact Mass781.30
IUPAC NameN-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESC1=C(c2ccccc2)CCC(c2cccc3c2oc2c4ccccc4c(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)oc5ccccc56)cc4)cc32)=C1
InChIInChI=1S/C58H39NO2/c1-3-13-38(14-4-1)40-25-27-41(28-26-40)47-22-12-23-52-54-37-53(48-19-7-8-21-51(48)58(54)61-57(47)52)42-29-31-44(32-30-42)59(45-18-11-17-43(35-45)39-15-5-2-6-16-39)46-33-34-50-49-20-9-10-24-55(49)60-56(50)36-46/h1-25,27,29-37H,26,28H2
InChIKeyOJCXLCMCQVQXSV-UHFFFAOYSA-N
XLogP16.70
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167143304
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-dibenzofuran-3-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402059
N-dibenzofuran-3-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144400
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 167143336) is N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is C1=C(c2ccccc2)CCC(c2cccc3c2oc2c4ccccc4c(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)oc5ccccc56)cc4)cc32)=C1.
What is the InChIKey of N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is OJCXLCMCQVQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2/c1-3-13-38(14-4-1)40-25-27-41(28-26-40)47-22-12-23-52-54-37-53(48-19-7-8-21-51(48)58(54)61-57(47)52)42-29-31-44(32-30-42)59(45-18-11-17-43(35-45)39-15-5-2-6-16-39)46-33-34-50-49-20-9-10-24-55(49)60-56(50)36-46/h1-25,27,29-37H,26,28H2.
What are the key properties of N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine?
N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 781.96 g/mol, XLogP of 16.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 167143336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).