3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene

C87H56 — CID 58988852

IUPAC3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
SMILESCC1(C)c2cc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c3-4)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21
InChIInChI=1S/C87H56/c1-87(2)73-51-59(61-47-49-71-81-65(61)39-23-41-69(81)83-75(53-25-9-3-10-26-53)67-37-21-22-38-68(67)76(84(71)83)54-27-11-4-12-28-54)43-45-63(73)64-46-44-60(52-74(64)87)62-48-50-72-82-66(62)40-24-42-70(82)85-79(57-33-17-7-18-34-57)77(55-29-13-5-14-30-55)78(56-31-15-6-16-32-56)80(86(72)85)58-35-19-8-20-36-58/h3-52H,1-2H3
InChIKeyVZHNOIBBCUACGD-UHFFFAOYSA-N
MW1101.41 g/mol
LogP24.08
Rot. Bonds8

About 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene

3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58988852) has the molecular formula C87H56 and a molecular weight of 1101.41 g/mol. Its IUPAC name is 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58988852
Molecular FormulaC87H56
Molecular Weight1101.41 g/mol
Exact Mass1100.44
IUPAC Name3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
SMILESCC1(C)c2cc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c3-4)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21
InChIInChI=1S/C87H56/c1-87(2)73-51-59(61-47-49-71-81-65(61)39-23-41-69(81)83-75(53-25-9-3-10-26-53)67-37-21-22-38-68(67)76(84(71)83)54-27-11-4-12-28-54)43-45-63(73)64-46-44-60(52-74(64)87)62-48-50-72-82-66(62)40-24-42-70(82)85-79(57-33-17-7-18-34-57)77(55-29-13-5-14-30-55)78(56-31-15-6-16-32-56)80(86(72)85)58-35-19-8-20-36-58/h3-52H,1-2H3
InChIKeyVZHNOIBBCUACGD-UHFFFAOYSA-N
XLogP24.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.41
LogP ≤ 524.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene with MolForge

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

Launch Full Analysis

Related Compounds

3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58988802
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,8,9,10-tetraphenylfluoranthene;7,8,9,10-tetraphenyl-3-[(E)-2-(7,8,9,10-tetraphenylfluoranthen-3-yl)ethenyl]fluoranthene;7,8,9,10-tetraphenyl-3-[5-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene
CID 157244673
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene;2-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;7,12-diphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]benzo[k]fluoranthene;7,12-diphenyl-3-[4-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]phenyl]benzo[k]fluoranthene
CID 159598216
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
22-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725710
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
2,5-bis(7,8,9,10-tetraphenylfluoranthen-3-yl)thiophene;3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,8,9,10-tetraphenylfluoranthene;N,7,8,9,10-pentakis-phenyl-N-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoranthen-3-amine;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 158366000
12-phenyl-7-(4-phenylphenyl)-4-[12-phenyl-7-(4-phenylphenyl)benzo[k]fluoranthen-4-yl]benzo[k]fluoranthene
CID 58988853

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene (CID 58988852) is 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene is CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c3-4)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21.
What is the InChIKey of 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is VZHNOIBBCUACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H56/c1-87(2)73-51-59(61-47-49-71-81-65(61)39-23-41-69(81)83-75(53-25-9-3-10-26-53)67-37-21-22-38-68(67)76(84(71)83)54-27-11-4-12-28-54)43-45-63(73)64-46-44-60(52-74(64)87)62-48-50-72-82-66(62)40-24-42-70(82)85-79(57-33-17-7-18-34-57)77(55-29-13-5-14-30-55)78(56-31-15-6-16-32-56)80(86(72)85)58-35-19-8-20-36-58/h3-52H,1-2H3.
What are the key properties of 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene?
3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 1101.41 g/mol, XLogP of 24.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9,9-dimethyl-7-(7,8,9,10-tetraphenylfluoranthen-3-yl)fluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58988852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).