2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol

C28H26O4 — CID 67972181

IUPAC2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
SMILESCOc1cc2c3c(cc(O)c2c(OC)c1OC)C(C)(C)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C28H26O4/c1-28(2)20-13-17(16-9-7-6-8-10-16)11-12-18(20)24-19-14-23(30-3)26(31-4)27(32-5)25(19)22(29)15-21(24)28/h6-15,29H,1-5H3
InChIKeyFNYRXGCUQHUZAN-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.54
Rot. Bonds4

About 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol

2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol (PubChem CID 67972181) has the molecular formula C28H26O4 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
PubChem CID67972181
Molecular FormulaC28H26O4
Molecular Weight426.51 g/mol
Exact Mass426.18
IUPAC Name2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
SMILESCOc1cc2c3c(cc(O)c2c(OC)c1OC)C(C)(C)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C28H26O4/c1-28(2)20-13-17(16-9-7-6-8-10-16)11-12-18(20)24-19-14-23(30-3)26(31-4)27(32-5)25(19)22(29)15-21(24)28/h6-15,29H,1-5H3
InChIKeyFNYRXGCUQHUZAN-UHFFFAOYSA-N
XLogP6.54
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 161242797
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
CID 102302660
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
1-[4-[9,9-dimethyl-7-(6-phenylpyren-1-yl)fluoren-2-yl]phenyl]-6-phenylpyrene
CID 156656915
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol?
The IUPAC name of 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol (CID 67972181) is 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol?
The canonical SMILES for 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol is COc1cc2c3c(cc(O)c2c(OC)c1OC)C(C)(C)c1cc(-c2ccccc2)ccc1-3.
What is the InChIKey of 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol?
The InChIKey is FNYRXGCUQHUZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O4/c1-28(2)20-13-17(16-9-7-6-8-10-16)11-12-18(20)24-19-14-23(30-3)26(31-4)27(32-5)25(19)22(29)15-21(24)28/h6-15,29H,1-5H3.
What are the key properties of 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol?
2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol has a molecular weight of 426.51 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 67972181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).