3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene

C53H36 — CID 58988802

IUPAC3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21
InChIInChI=1S/C53H36/c1-53(2)46-31-36(33-15-6-3-7-16-33)25-27-39(46)40-28-26-37(32-47(40)53)38-29-30-45-50-41(38)23-14-24-44(50)51-48(34-17-8-4-9-18-34)42-21-12-13-22-43(42)49(52(45)51)35-19-10-5-11-20-35/h3-32H,1-2H3
InChIKeyWXPQJKNIGDGNKG-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.61
Rot. Bonds4

About 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene

3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene (PubChem CID 58988802) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene.

Molecular Properties

Compound Name3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
PubChem CID58988802
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21
InChIInChI=1S/C53H36/c1-53(2)46-31-36(33-15-6-3-7-16-33)25-27-39(46)40-28-26-37(32-47(40)53)38-29-30-45-50-41(38)23-14-24-44(50)51-48(34-17-8-4-9-18-34)42-21-12-13-22-43(42)49(52(45)51)35-19-10-5-11-20-35/h3-32H,1-2H3
InChIKeyWXPQJKNIGDGNKG-UHFFFAOYSA-N
XLogP14.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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]-7,12-diphenylbenzo[k]fluoranthene
CID 58988852
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
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-[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
3,17-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
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
The IUPAC name of 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene (CID 58988802) is 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene.
What is the SMILES notation for 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
The canonical SMILES for 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c5c(cccc35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
The InChIKey is WXPQJKNIGDGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)46-31-36(33-15-6-3-7-16-33)25-27-39(46)40-28-26-37(32-47(40)53)38-29-30-45-50-41(38)23-14-24-44(50)51-48(34-17-8-4-9-18-34)42-21-12-13-22-43(42)49(52(45)51)35-19-10-5-11-20-35/h3-32H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene?
3-(9,9-dimethyl-7-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene has a molecular weight of 672.87 g/mol, XLogP of 14.61, 4 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-phenylfluoren-2-yl)-7,12-diphenylbenzo[k]fluoranthene is sourced from PubChem (CID 58988802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).