3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene

C50H34 — CID 143708185

IUPAC3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
SMILESC=C(C)/C=C1/c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c(C)c21
InChIInChI=1S/C50H34/c1-30(2)29-44-36-20-11-10-19-35(36)41-27-25-34(31(3)45(41)44)37-26-28-43-48-38(37)23-14-24-42(48)49-46(32-15-6-4-7-16-32)39-21-12-13-22-40(39)47(50(43)49)33-17-8-5-9-18-33/h4-29H,1H2,2-3H3/b44-29-
InChIKeyOBSAQMDLFQTRKW-YMIDXDEVSA-N
MW634.82 g/mol
LogP13.94
Rot. Bonds4

About 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene

3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 143708185) has the molecular formula C50H34 and a molecular weight of 634.82 g/mol. Its IUPAC name is 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
PubChem CID143708185
Molecular FormulaC50H34
Molecular Weight634.82 g/mol
Exact Mass634.27
IUPAC Name3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
SMILESC=C(C)/C=C1/c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c(C)c21
InChIInChI=1S/C50H34/c1-30(2)29-44-36-20-11-10-19-35(36)41-27-25-34(31(3)45(41)44)37-26-28-43-48-38(37)23-14-24-42(48)49-46(32-15-6-4-7-16-32)39-21-12-13-22-40(39)47(50(43)49)33-17-8-5-9-18-33/h4-29H,1H2,2-3H3/b44-29-
InChIKeyOBSAQMDLFQTRKW-YMIDXDEVSA-N
XLogP13.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.82
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
3-(4-fluoranthen-3-yl-2,3,5,6-tetramethylphenyl)fluoranthene;3-(4-fluoranthen-3-yl-2,3,5,6-tetraphenylphenyl)fluoranthene
CID 161477289
ethane;12-(4-methylphenyl)-4-[12-(4-methylphenyl)-7-(2-phenylphenyl)benzo[k]fluoranthen-4-yl]-7-(2-phenylphenyl)benzo[k]fluoranthene;propane
CID 143743322
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
3-(7,10-diphenylfluoranthen-3-yl)-7,9,10,12-tetraphenylbenzo[k]fluoranthene
CID 58988912
3-[9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthen-3-yl]-9,10-diphenyl-7,12-bis(4-phenylphenyl)benzo[k]fluoranthene
CID 58988857
21,28-diphenyldecacyclo[17.13.2.22,5.03,15.04,12.06,11.016,33.020,29.022,27.030,34]hexatriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31,35-octadecaene
CID 20769969
7-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-4-(7,8,9,10-tetraphenylfluoranthen-3-yl)-2,1,3-benzothiadiazole
CID 58988854
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852
7-(2,6-dimethylphenyl)-19-fluoranthen-3-yl-3,10-diphenylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4(9),5,7,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454174
3-(3,5-difluorophenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988793

Frequently Asked Questions

What is the IUPAC name of 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene (CID 143708185) is 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene is C=C(C)/C=C1/c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)c(C)c21.
What is the InChIKey of 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is OBSAQMDLFQTRKW-YMIDXDEVSA-N. The full InChI is InChI=1S/C50H34/c1-30(2)29-44-36-20-11-10-19-35(36)41-27-25-34(31(3)45(41)44)37-26-28-43-48-38(37)23-14-24-42(48)49-46(32-15-6-4-7-16-32)39-21-12-13-22-40(39)47(50(43)49)33-17-8-5-9-18-33/h4-29H,1H2,2-3H3/b44-29-.
What are the key properties of 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 634.82 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9Z)-1-methyl-9-(2-methylprop-2-enylidene)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 143708185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).