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

C70H61NO — CID 144614123

IUPAC2-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
SMILESC=Cc1oc2ccc(C(C)C)cc2c1/C=C\C.Cc1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(c2ccccc2)c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C47H35N.C16H18O.C7H8/c1-32-24-27-37(28-25-32)48(44-23-13-15-34-14-9-10-20-38(34)44)45-31-43-46(40-22-12-11-21-39(40)45)41-29-26-33(2)30-42(41)47(43,35-16-5-3-6-17-35)36-18-7-4-8-19-36;1-5-7-13-14-10-12(11(3)4)8-9-16(14)17-15(13)6-2;1-7-5-3-2-4-6-7/h3-31H,1-2H3;5-11H,2H2,1,3-4H3;2-6H,1H3/b;7-5-;
InChIKeyRBHXKVJKHFWIAB-IQGCDTTGSA-N
MW932.26 g/mol
LogP19.67
Rot. Bonds8

About 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

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 (PubChem CID 144614123) has the molecular formula C70H61NO and a molecular weight of 932.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID144614123
Molecular FormulaC70H61NO
Molecular Weight932.26 g/mol
Exact Mass931.48
IUPAC Name2-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
SMILESC=Cc1oc2ccc(C(C)C)cc2c1/C=C\C.Cc1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(c2ccccc2)c2ccccc2)cc1.Cc1ccccc1
InChIInChI=1S/C47H35N.C16H18O.C7H8/c1-32-24-27-37(28-25-32)48(44-23-13-15-34-14-9-10-20-38(34)44)45-31-43-46(40-22-12-11-21-39(40)45)41-29-26-33(2)30-42(41)47(43,35-16-5-3-6-17-35)36-18-7-4-8-19-36;1-5-7-13-14-10-12(11(3)4)8-9-16(14)17-15(13)6-2;1-7-5-3-2-4-6-7/h3-31H,1-2H3;5-11H,2H2,1,3-4H3;2-6H,1H3/b;7-5-;
InChIKeyRBHXKVJKHFWIAB-IQGCDTTGSA-N
XLogP19.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.26
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
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
N-[5-(3,6-dimethylcarbazol-9-yl)-7,7-dimethylbenzo[g]fluoren-9-yl]-2-ethenyl-N-(4-ethylphenyl)-3-[(Z)-prop-1-enyl]-1-benzofuran-5-amine;ethane
CID 144613168
9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
CID 144614658
7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
CID 140717796
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenyl-2,6-di(propan-2-yl)anthracene-9,10-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;7,7-dimethyl-5-N,5-N,9-N,9-N-tetraphenylbenzo[c]fluorene-5,9-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(3,4-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine;5-N,5-N,9-N-tris(4-methylphenyl)-7,7-diphenyl-9-N-(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine
CID 161316729
5-N,9-N-bis(6-cyclopentyldibenzofuran-4-yl)-7,7-diphenyl-5-N,9-N-bis(4-propan-2-ylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139959
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
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 177287521
5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)benzo[c]fluorene-5,9-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-6-N-(4-dimethylsilylphenyl)-3,8-di(propan-2-yl)-1-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;5-N,5-N,18-N,18-N,21,21-hexakis-phenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine;1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 165094699

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1oc2ccc(C(C)C)cc2c1/C=C\C.Cc1ccc(N(c2cccc3ccccc23)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(c2ccccc2)c2ccccc2)cc1.Cc1ccccc1.
What is the InChIKey of 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?
The InChIKey is RBHXKVJKHFWIAB-IQGCDTTGSA-N. The full InChI is InChI=1S/C47H35N.C16H18O.C7H8/c1-32-24-27-37(28-25-32)48(44-23-13-15-34-14-9-10-20-38(34)44)45-31-43-46(40-22-12-11-21-39(40)45)41-29-26-33(2)30-42(41)47(43,35-16-5-3-6-17-35)36-18-7-4-8-19-36;1-5-7-13-14-10-12(11(3)4)8-9-16(14)17-15(13)6-2;1-7-5-3-2-4-6-7/h3-31H,1-2H3;5-11H,2H2,1,3-4H3;2-6H,1H3/b;7-5-;.
What are the key properties of 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?
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 has a molecular weight of 932.26 g/mol, XLogP of 19.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144614123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).