7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine

C87H74N2O2 — CID 76816200

IUPAC7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine
SMILESC=CC=C(C(C=CCC=CC1c2cc(C3=CCC(c4cccc5c(C=C)c(C=C)oc45)C=C3)ccc2N(C2=CC=C3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4C(C)(C)C3C2)C1C=C)=CC)c1cc2ccccc2o1
InChIInChI=1S/C87H74N2O2/c1-8-25-72(85-55-66-31-22-23-35-84(66)90-85)58(9-2)26-16-15-21-32-76-78-54-65(63-36-38-64(39-37-63)73-33-24-34-77-71(10-3)83(12-5)91-86(73)77)44-53-82(78)89(81(76)11-4)70-50-52-75-74-51-49-69(56-79(74)87(6,7)80(75)57-70)88(67-45-40-61(41-46-67)59-27-17-13-18-28-59)68-47-42-62(43-48-68)60-29-19-14-20-30-60/h8-14,16-38,40-56,64,76,80-81H,1,3-5,15,39,57H2,2,6-7H3
InChIKeyRQGAYHMNOBISDK-UHFFFAOYSA-N
MW1179.56 g/mol
LogP23.85
Rot. Bonds18

About 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine

7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine (PubChem CID 76816200) has the molecular formula C87H74N2O2 and a molecular weight of 1179.56 g/mol. Its IUPAC name is 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine
PubChem CID76816200
Molecular FormulaC87H74N2O2
Molecular Weight1179.56 g/mol
Exact Mass1178.58
IUPAC Name7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine
SMILESC=CC=C(C(C=CCC=CC1c2cc(C3=CCC(c4cccc5c(C=C)c(C=C)oc45)C=C3)ccc2N(C2=CC=C3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4C(C)(C)C3C2)C1C=C)=CC)c1cc2ccccc2o1
InChIInChI=1S/C87H74N2O2/c1-8-25-72(85-55-66-31-22-23-35-84(66)90-85)58(9-2)26-16-15-21-32-76-78-54-65(63-36-38-64(39-37-63)73-33-24-34-77-71(10-3)83(12-5)91-86(73)77)44-53-82(78)89(81(76)11-4)70-50-52-75-74-51-49-69(56-79(74)87(6,7)80(75)57-70)88(67-45-40-61(41-46-67)59-27-17-13-18-28-59)68-47-42-62(43-48-68)60-29-19-14-20-30-60/h8-14,16-38,40-56,64,76,80-81H,1,3-5,15,39,57H2,2,6-7H3
InChIKeyRQGAYHMNOBISDK-UHFFFAOYSA-N
XLogP23.85
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.56
LogP ≤ 523.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine?
The IUPAC name of 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine (CID 76816200) is 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine.
What is the SMILES notation for 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine?
The canonical SMILES for 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine is C=CC=C(C(C=CCC=CC1c2cc(C3=CCC(c4cccc5c(C=C)c(C=C)oc45)C=C3)ccc2N(C2=CC=C3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4C(C)(C)C3C2)C1C=C)=CC)c1cc2ccccc2o1.
What is the InChIKey of 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine?
The InChIKey is RQGAYHMNOBISDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H74N2O2/c1-8-25-72(85-55-66-31-22-23-35-84(66)90-85)58(9-2)26-16-15-21-32-76-78-54-65(63-36-38-64(39-37-63)73-33-24-34-77-71(10-3)83(12-5)91-86(73)77)44-53-82(78)89(81(76)11-4)70-50-52-75-74-51-49-69(56-79(74)87(6,7)80(75)57-70)88(67-45-40-61(41-46-67)59-27-17-13-18-28-59)68-47-42-62(43-48-68)60-29-19-14-20-30-60/h8-14,16-38,40-56,64,76,80-81H,1,3-5,15,39,57H2,2,6-7H3.
What are the key properties of 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine?
7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine has a molecular weight of 1179.56 g/mol, XLogP of 23.85, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[7-(1-benzofuran-2-yl)-6-ethylidenedeca-1,4,7,9-tetraenyl]-5-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]cyclohexa-1,5-dien-1-yl]-2-ethenyl-2,3-dihydroindol-1-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)-8,8a-dihydrofluoren-2-amine is sourced from PubChem (CID 76816200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).