7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol

C25H30N2O — CID 20689891

IUPAC7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol
SMILESCc1c(C)c(C)c2c3c(cc(O)c2c1C)C(N(C)C)(N(C)C)c1ccccc1-3
InChIInChI=1S/C25H30N2O/c1-14-15(2)17(4)23-22(16(14)3)21(28)13-20-24(23)18-11-9-10-12-19(18)25(20,26(5)6)27(7)8/h9-13,28H,1-8H3
InChIKeyZSMZFVDOEPHJCL-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.08
Rot. Bonds2

About 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol

7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol (PubChem CID 20689891) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol
PubChem CID20689891
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol
SMILESCc1c(C)c(C)c2c3c(cc(O)c2c1C)C(N(C)C)(N(C)C)c1ccccc1-3
InChIInChI=1S/C25H30N2O/c1-14-15(2)17(4)23-22(16(14)3)21(28)13-20-24(23)18-11-9-10-12-19(18)25(20,26(5)6)27(7)8/h9-13,28H,1-8H3
InChIKeyZSMZFVDOEPHJCL-UHFFFAOYSA-N
XLogP5.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-(dimethylamino)-1,2,3,4-tetramethyl-7H-benzo[c]fluoren-5-ol;ethane
CID 91467220
1,3-dibromo-2,4-difluoro-7,7-dimethylbenzo[c]fluoren-5-ol
CID 141338587
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
5-[9-(2,4,5-trihydroxyphenyl)fluoren-9-yl]benzene-1,2,4-triol
CID 137364150
9-methyl-9-phenylfluoren-4-ol
CID 139484121
3-bromo-7,7-dimethylbenzo[c]fluoren-5-ol
CID 68526611
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
7-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-ol
CID 118146061
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol?
The IUPAC name of 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol (CID 20689891) is 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol?
The canonical SMILES for 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol is Cc1c(C)c(C)c2c3c(cc(O)c2c1C)C(N(C)C)(N(C)C)c1ccccc1-3.
What is the InChIKey of 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol?
The InChIKey is ZSMZFVDOEPHJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-14-15(2)17(4)23-22(16(14)3)21(28)13-20-24(23)18-11-9-10-12-19(18)25(20,26(5)6)27(7)8/h9-13,28H,1-8H3.
What are the key properties of 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol?
7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol has a molecular weight of 374.53 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(dimethylamino)-1,2,3,4-tetramethylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 20689891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).