3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine

C60H45NO2 — CID 144614792

IUPAC3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine
SMILESC=C/C(=c1\c(=C)oc2ccccc12)N(c1ccccc1)c1cc2c(c(C=C)c1C=C)-c1ccc(-c3ccc4c(/C=C\C)c(C=C)oc4c3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H45NO2/c1-7-23-47-48-34-32-41(37-57(48)63-55(47)11-5)40-33-35-49-51(36-40)60(42-24-15-12-16-25-42,43-26-17-13-18-27-43)52-38-54(45(8-2)46(9-3)59(49)52)61(44-28-19-14-20-29-44)53(10-4)58-39(6)62-56-31-22-21-30-50(56)58/h7-38H,2-6H2,1H3/b23-7-,58-53-
InChIKeyVBBLTHHBWWLLDC-DXHKYXTNSA-N
MW812.02 g/mol
LogP14.71
Rot. Bonds11

About 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine

3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 144614792) has the molecular formula C60H45NO2 and a molecular weight of 812.02 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound Name3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID144614792
Molecular FormulaC60H45NO2
Molecular Weight812.02 g/mol
Exact Mass811.35
IUPAC Name3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine
SMILESC=C/C(=c1\c(=C)oc2ccccc12)N(c1ccccc1)c1cc2c(c(C=C)c1C=C)-c1ccc(-c3ccc4c(/C=C\C)c(C=C)oc4c3)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H45NO2/c1-7-23-47-48-34-32-41(37-57(48)63-55(47)11-5)40-33-35-49-51(36-40)60(42-24-15-12-16-25-42,43-26-17-13-18-27-43)52-38-54(45(8-2)46(9-3)59(49)52)61(44-28-19-14-20-29-44)53(10-4)58-39(6)62-56-31-22-21-30-50(56)58/h7-38H,2-6H2,1H3/b23-7-,58-53-
InChIKeyVBBLTHHBWWLLDC-DXHKYXTNSA-N
XLogP14.71
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.02
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine with MolForge

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Related Compounds

3,4-bis(ethenyl)-7-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-9,9-dimethyl-2-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-7-N-(3-methylphenyl)-2-N-phenylfluorene-2,7-diamine
CID 144613666
7-N-(1,2-dihydrodibenzofuran-4-yl)-3,4-bis(ethenyl)-2-N-[(3E)-hexa-1,3,5-trien-3-yl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 144613491
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran;9-methyl-N-(4-methylphenyl)-N-naphthalen-1-yl-7,7-diphenylbenzo[c]fluoren-5-amine;toluene
CID 144614123
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171401986
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
buta-1,3-diene;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran;prop-1-ene
CID 144627482
N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 144907086
17-N-dibenzofuran-3-yl-11-N,14,14-triphenyl-11-N,17-N-bis(4-trimethylsilylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-11,17-diamine
CID 140785086
3,4-bis(ethenyl)-7-methyl-2,9,9-triphenylfluorene;2,5-dimethyl-3-[(Z)-pent-2-en-2-yl]-4-[(Z)-prop-1-enyl]furan;ethane;1-methyl-4-propan-2-ylbenzene
CID 144612942

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine (CID 144614792) is 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine is C=C/C(=c1\c(=C)oc2ccccc12)N(c1ccccc1)c1cc2c(c(C=C)c1C=C)-c1ccc(-c3ccc4c(/C=C\C)c(C=C)oc4c3)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is VBBLTHHBWWLLDC-DXHKYXTNSA-N. The full InChI is InChI=1S/C60H45NO2/c1-7-23-47-48-34-32-41(37-57(48)63-55(47)11-5)40-33-35-49-51(36-40)60(42-24-15-12-16-25-42,43-26-17-13-18-27-43)52-38-54(45(8-2)46(9-3)59(49)52)61(44-28-19-14-20-29-44)53(10-4)58-39(6)62-56-31-22-21-30-50(56)58/h7-38H,2-6H2,1H3/b23-7-,58-53-.
What are the key properties of 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine?
3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 812.02 g/mol, XLogP of 14.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-7-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-[(1E)-1-(2-methylidene-1-benzofuran-3-ylidene)prop-2-enyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 144614792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).