2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene

C27H34 — CID 178181302

IUPAC2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene
SMILESC=CCC1(CC=C)c2cc(C(C)CC)ccc2-c2ccc(C(C)CC)cc21
InChIInChI=1S/C27H34/c1-7-15-27(16-8-2)25-17-21(19(5)9-3)11-13-23(25)24-14-12-22(18-26(24)27)20(6)10-4/h7-8,11-14,17-20H,1-2,9-10,15-16H2,3-6H3
InChIKeyRUFCBOKNSIVHLM-UHFFFAOYSA-N
MW358.57 g/mol
LogP8.13
Rot. Bonds8

About 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene

2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene (PubChem CID 178181302) has the molecular formula C27H34 and a molecular weight of 358.57 g/mol. Its IUPAC name is 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene.

Molecular Properties

Compound Name2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene
PubChem CID178181302
Molecular FormulaC27H34
Molecular Weight358.57 g/mol
Exact Mass358.27
IUPAC Name2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene
SMILESC=CCC1(CC=C)c2cc(C(C)CC)ccc2-c2ccc(C(C)CC)cc21
InChIInChI=1S/C27H34/c1-7-15-27(16-8-2)25-17-21(19(5)9-3)11-13-23(25)24-14-12-22(18-26(24)27)20(6)10-4/h7-8,11-14,17-20H,1-2,9-10,15-16H2,3-6H3
InChIKeyRUFCBOKNSIVHLM-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,7-di(propan-2-yl)-9,9-bis(prop-2-enyl)fluorene
CID 178181307
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
CID 159894360
6-butan-2-yl-3,3-dimethyl-2H-inden-1-one
CID 79837924
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
9,9-dibutyl-2,7-di(propan-2-yl)fluorene
CID 153392949
1-buta-1,3-dien-2-yl-4-butan-2-ylbenzene
CID 147431279
5-butan-2-yl-2-(4-butan-2-ylphenyl)phenol
CID 141260416
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399

Frequently Asked Questions

What is the IUPAC name of 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
The IUPAC name of 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene (CID 178181302) is 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene.
What is the SMILES notation for 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
The canonical SMILES for 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene is C=CCC1(CC=C)c2cc(C(C)CC)ccc2-c2ccc(C(C)CC)cc21.
What is the InChIKey of 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
The InChIKey is RUFCBOKNSIVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34/c1-7-15-27(16-8-2)25-17-21(19(5)9-3)11-13-23(25)24-14-12-22(18-26(24)27)20(6)10-4/h7-8,11-14,17-20H,1-2,9-10,15-16H2,3-6H3.
What are the key properties of 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene?
2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene has a molecular weight of 358.57 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(butan-2-yl)-9,9-bis(prop-2-enyl)fluorene is sourced from PubChem (CID 178181302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).