2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene

C45H38 — CID 53423919

IUPAC2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C45H38/c1-43(2)37-13-9-7-11-31(37)33-19-15-27(23-39(33)43)29-17-21-35-36-22-18-30(26-42(36)45(5,6)41(35)25-29)28-16-20-34-32-12-8-10-14-38(32)44(3,4)40(34)24-28/h7-26H,1-6H3
InChIKeyCCTIZDABNPLPHW-UHFFFAOYSA-N
MW578.80 g/mol
LogP11.94
Rot. Bonds2

About 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene

2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene (PubChem CID 53423919) has the molecular formula C45H38 and a molecular weight of 578.80 g/mol. Its IUPAC name is 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene
PubChem CID53423919
Molecular FormulaC45H38
Molecular Weight578.80 g/mol
Exact Mass578.30
IUPAC Name2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C45H38/c1-43(2)37-13-9-7-11-31(37)33-19-15-27(23-39(33)43)29-17-21-35-36-22-18-30(26-42(36)45(5,6)41(35)25-29)28-16-20-34-32-12-8-10-14-38(32)44(3,4)40(34)24-28/h7-26H,1-6H3
InChIKeyCCTIZDABNPLPHW-UHFFFAOYSA-N
XLogP11.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Methylcholanthrene
CID 1674
Indeno(1,2,3-cd)pyrene
CID 9131
Dibenzo(a,e)fluoranthene
CID 21480
Indeno(1,2,3-hi)chrysene
CID 130669
Rubicene
CID 67454
Indeno[1,2,3-fg]naphthacene
CID 164559
Decacyclene
CID 67448
9,9-Diphenylfluorene
CID 413569
Diindeno(1,2,3-cd:1',2',3'-lm)perylene
CID 96712
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
Dibenzo[j,l]fluoranthene
CID 6428082
Naphth(2,1-a)aceanthrylene
CID 156610

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene?
The IUPAC name of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene (CID 53423919) is 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene.
What is the SMILES notation for 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene?
The canonical SMILES for 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene?
The InChIKey is CCTIZDABNPLPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38/c1-43(2)37-13-9-7-11-31(37)33-19-15-27(23-39(33)43)29-17-21-35-36-22-18-30(26-42(36)45(5,6)41(35)25-29)28-16-20-34-32-12-8-10-14-38(32)44(3,4)40(34)24-28/h7-26H,1-6H3.
What are the key properties of 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene?
2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene has a molecular weight of 578.80 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene is sourced from PubChem (CID 53423919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).