2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine

C40H30N2O — CID 58113431

IUPAC2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESC=Cc1cccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cccc(C=C)c5)cc4c3c2)c1
InChIInChI=1S/C40H30N2O/c1-3-29-13-11-19-33(25-29)41(31-15-7-5-8-16-31)35-21-23-39-37(27-35)38-28-36(22-24-40(38)43-39)42(32-17-9-6-10-18-32)34-20-12-14-30(4-2)26-34/h3-28H,1-2H2
InChIKeyOCXOCTKBRCNAOF-UHFFFAOYSA-N
MW554.69 g/mol
LogP11.81
Rot. Bonds8

About 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine

2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine (PubChem CID 58113431) has the molecular formula C40H30N2O and a molecular weight of 554.69 g/mol. Its IUPAC name is 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
PubChem CID58113431
Molecular FormulaC40H30N2O
Molecular Weight554.69 g/mol
Exact Mass554.24
IUPAC Name2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESC=Cc1cccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cccc(C=C)c5)cc4c3c2)c1
InChIInChI=1S/C40H30N2O/c1-3-29-13-11-19-33(25-29)41(31-15-7-5-8-16-31)35-21-23-39-37(27-35)38-28-36(22-24-40(38)43-39)42(32-17-9-6-10-18-32)34-20-12-14-30(4-2)26-34/h3-28H,1-2H2
InChIKeyOCXOCTKBRCNAOF-UHFFFAOYSA-N
XLogP11.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-3-N-[3-(N-dibenzofuran-2-ylanilino)phenyl]-1-N-phenylbenzene-1,3-diamine
CID 134198303
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189551
3-[3-(3-ethenylphenyl)phenyl]-N-[4-[4-(N-[3-[3-(3-ethenylphenyl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 58113558
9-chloro-N,N-diphenyldibenzofuran-2-amine
CID 139422567
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine (CID 58113431) is 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine is C=Cc1cccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5cccc(C=C)c5)cc4c3c2)c1.
What is the InChIKey of 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The InChIKey is OCXOCTKBRCNAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2O/c1-3-29-13-11-19-33(25-29)41(31-15-7-5-8-16-31)35-21-23-39-37(27-35)38-28-36(22-24-40(38)43-39)42(32-17-9-6-10-18-32)34-20-12-14-30(4-2)26-34/h3-28H,1-2H2.
What are the key properties of 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine has a molecular weight of 554.69 g/mol, XLogP of 11.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(3-ethenylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 58113431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).