1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran

C35H36O — CID 167063858

IUPAC1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)oc2cccc(C(C)(C)C)c23)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C35H36O/c1-33(2,3)26-14-11-15-29-32(26)24-17-16-21(20-30(24)36-29)22-18-27(34(4,5)6)31-23-12-9-10-13-25(23)35(7,8)28(31)19-22/h9-20H,1-8H3
InChIKeyDNCFCGNWVIUVCM-UHFFFAOYSA-N
MW472.67 g/mol
LogP10.15
Rot. Bonds1

About 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran

1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran (PubChem CID 167063858) has the molecular formula C35H36O and a molecular weight of 472.67 g/mol. Its IUPAC name is 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran
PubChem CID167063858
Molecular FormulaC35H36O
Molecular Weight472.67 g/mol
Exact Mass472.28
IUPAC Name1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)oc2cccc(C(C)(C)C)c23)cc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C35H36O/c1-33(2,3)26-14-11-15-29-32(26)24-17-16-21(20-30(24)36-29)22-18-27(34(4,5)6)31-23-12-9-10-13-25(23)35(7,8)28(31)19-22/h9-20H,1-8H3
InChIKeyDNCFCGNWVIUVCM-UHFFFAOYSA-N
XLogP10.15
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-ditert-butyl-9,9-dimethylfluorene
CID 140861200
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943
9-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine
CID 174312877
N-(2-tert-butyl-4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781201
N-[2-tert-butyl-4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176781185
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130213656
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680854
2-(9,9-dimethylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681152
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran?
The IUPAC name of 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran (CID 167063858) is 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran is CC(C)(C)c1cc(-c2ccc3c(c2)oc2cccc(C(C)(C)C)c23)cc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran?
The InChIKey is DNCFCGNWVIUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36O/c1-33(2,3)26-14-11-15-29-32(26)24-17-16-21(20-30(24)36-29)22-18-27(34(4,5)6)31-23-12-9-10-13-25(23)35(7,8)28(31)19-22/h9-20H,1-8H3.
What are the key properties of 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran?
1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran has a molecular weight of 472.67 g/mol, XLogP of 10.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-7-(4-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 167063858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).