1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine

C82H57Br2N3O3 — CID 159568444

IUPAC1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine
SMILESBrc1ccc(/C=C/c2ccc(Br)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1)\c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C50H34N2O2.C18H13NO.C14H10Br2/c1-3-11-37(12-4-1)51(41-29-31-49-45(33-41)43-15-7-9-17-47(43)53-49)39-25-21-35(22-26-39)19-20-36-23-27-40(28-24-36)52(38-13-5-2-6-14-38)42-30-32-50-46(34-42)44-16-8-10-18-48(44)54-50;1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18;15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-34H;1-12,19H;1-10H/b20-19+;;2-1+
InChIKeyMHMRGKJMWZNOGR-HLYDEGEKSA-N
MW1292.18 g/mol
LogP25.31
Rot. Bonds12

About 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine

1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine (PubChem CID 159568444) has the molecular formula C82H57Br2N3O3 and a molecular weight of 1292.18 g/mol. Its IUPAC name is 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound Name1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine
PubChem CID159568444
Molecular FormulaC82H57Br2N3O3
Molecular Weight1292.18 g/mol
Exact Mass1289.28
IUPAC Name1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine
SMILESBrc1ccc(/C=C/c2ccc(Br)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1)\c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C50H34N2O2.C18H13NO.C14H10Br2/c1-3-11-37(12-4-1)51(41-29-31-49-45(33-41)43-15-7-9-17-47(43)53-49)39-25-21-35(22-26-39)19-20-36-23-27-40(28-24-36)52(38-13-5-2-6-14-38)42-30-32-50-46(34-42)44-16-8-10-18-48(44)54-50;1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18;15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-34H;1-12,19H;1-10H/b20-19+;;2-1+
InChIKeyMHMRGKJMWZNOGR-HLYDEGEKSA-N
XLogP25.31
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001292.18
LogP ≤ 525.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine with MolForge

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Related Compounds

N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283
N,N-diphenyldibenzofuran-2-amine
CID 58038469
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine
CID 160715053
4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
CID 159673043
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
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
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032207

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine?
The IUPAC name of 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine (CID 159568444) is 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine.
What is the SMILES notation for 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine?
The canonical SMILES for 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine is Brc1ccc(/C=C/c2ccc(Br)cc2)cc1.C(=C/c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1)\c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(Nc2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine?
The InChIKey is MHMRGKJMWZNOGR-HLYDEGEKSA-N. The full InChI is InChI=1S/C50H34N2O2.C18H13NO.C14H10Br2/c1-3-11-37(12-4-1)51(41-29-31-49-45(33-41)43-15-7-9-17-47(43)53-49)39-25-21-35(22-26-39)19-20-36-23-27-40(28-24-36)52(38-13-5-2-6-14-38)42-30-32-50-46(34-42)44-16-8-10-18-48(44)54-50;1-2-6-13(7-3-1)19-14-10-11-18-16(12-14)15-8-4-5-9-17(15)20-18;15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-34H;1-12,19H;1-10H/b20-19+;;2-1+.
What are the key properties of 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine?
1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine has a molecular weight of 1292.18 g/mol, XLogP of 25.31, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(E)-2-(4-bromophenyl)ethenyl]benzene;N-[4-[(E)-2-[4-(N-dibenzofuran-2-ylanilino)phenyl]ethenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 159568444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).