N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline

C52H35NO2 — CID 167143304

IUPACN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
SMILESC1=C(c2ccc3oc4ccccc4c3c2)CCC(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)=C1
InChIInChI=1S/C52H35NO2/c1-3-12-35(13-4-1)46-33-48-45-20-11-19-41(51(45)55-52(48)44-18-8-7-16-42(44)46)36-24-29-40(30-25-36)53(38-14-5-2-6-15-38)39-27-22-34(23-28-39)37-26-31-50-47(32-37)43-17-9-10-21-49(43)54-50/h1-22,24-27,29-33H,23,28H2
InChIKeyYPIRMDQDXXUFMI-UHFFFAOYSA-N
MW705.86 g/mol
LogP14.87
Rot. Bonds6

About N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline

N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline (PubChem CID 167143304) has the molecular formula C52H35NO2 and a molecular weight of 705.86 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
PubChem CID167143304
Molecular FormulaC52H35NO2
Molecular Weight705.86 g/mol
Exact Mass705.27
IUPAC NameN-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
SMILESC1=C(c2ccc3oc4ccccc4c3c2)CCC(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)=C1
InChIInChI=1S/C52H35NO2/c1-3-12-35(13-4-1)46-33-48-45-20-11-19-41(51(45)55-52(48)44-18-8-7-16-42(44)46)36-24-29-40(30-25-36)53(38-14-5-2-6-15-38)39-27-22-34(23-28-39)37-26-31-50-47(32-37)43-17-9-10-21-49(43)54-50/h1-22,24-27,29-33H,23,28H2
InChIKeyYPIRMDQDXXUFMI-UHFFFAOYSA-N
XLogP14.87
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
CID 129311258
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 154947312
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 170238372
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The IUPAC name of 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) is N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline is C1=C(c2ccc3oc4ccccc4c3c2)CCC(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c5ccccc5c(-c5ccccc5)cc43)cc2)=C1.
What is the InChIKey of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
The InChIKey is YPIRMDQDXXUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO2/c1-3-12-35(13-4-1)46-33-48-45-20-11-19-41(51(45)55-52(48)44-18-8-7-16-42(44)46)36-24-29-40(30-25-36)53(38-14-5-2-6-15-38)39-27-22-34(23-28-39)37-26-31-50-47(32-37)43-17-9-10-21-49(43)54-50/h1-22,24-27,29-33H,23,28H2.
What are the key properties of N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline?
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline has a molecular weight of 705.86 g/mol, XLogP of 14.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline is sourced from PubChem (CID 167143304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).