12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene

C45H30 — CID 59404102

IUPAC12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5cccc-4c35)cc21
InChIInChI=1S/C45H30/c1-45(2)38-23-8-7-17-31(38)32-25-24-29(26-39(32)45)41-34-18-5-6-19-35(34)42(33-20-9-13-27-12-3-4-16-30(27)33)44-37-22-11-15-28-14-10-21-36(40(28)37)43(41)44/h3-26H,1-2H3
InChIKeyFTFBCVBRARZGEX-UHFFFAOYSA-N
MW570.74 g/mol
LogP12.43
Rot. Bonds2

About 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene

12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene (PubChem CID 59404102) has the molecular formula C45H30 and a molecular weight of 570.74 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene.

Molecular Properties

Compound Name12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene
PubChem CID59404102
Molecular FormulaC45H30
Molecular Weight570.74 g/mol
Exact Mass570.23
IUPAC Name12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5cccc-4c35)cc21
InChIInChI=1S/C45H30/c1-45(2)38-23-8-7-17-31(38)32-25-24-29(26-39(32)45)41-34-18-5-6-19-35(34)42(33-20-9-13-27-12-3-4-16-30(27)33)44-37-22-11-15-28-14-10-21-36(40(28)37)43(41)44/h3-26H,1-2H3
InChIKeyFTFBCVBRARZGEX-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.74
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,10-bis(9,9-dimethylfluoren-2-yl)-19-naphthalen-1-ylheptacyclo[14.11.1.02,11.04,9.012,28.017,26.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 58454251
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene
CID 59404128
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-naphthalen-1-ylphenanthrene
CID 140942184
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785
9-(9,9-dimethylfluoren-2-yl)-10-[4-[(E)-2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]anthracene
CID 140834630

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene?
The IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene (CID 59404102) is 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene.
What is the SMILES notation for 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene?
The canonical SMILES for 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene is CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5cccc6ccccc56)c5ccccc35)-c3cccc5cccc-4c35)cc21.
What is the InChIKey of 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene?
The InChIKey is FTFBCVBRARZGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30/c1-45(2)38-23-8-7-17-31(38)32-25-24-29(26-39(32)45)41-34-18-5-6-19-35(34)42(33-20-9-13-27-12-3-4-16-30(27)33)44-37-22-11-15-28-14-10-21-36(40(28)37)43(41)44/h3-26H,1-2H3.
What are the key properties of 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene?
12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene has a molecular weight of 570.74 g/mol, XLogP of 12.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethylfluoren-2-yl)-7-naphthalen-1-ylbenzo[k]fluoranthene is sourced from PubChem (CID 59404102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).