9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]

C28H22O — CID 22084982

IUPAC9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
SMILESCC1(C)c2ccccc2C2(C=Cc3c(ccc4ccccc34)O2)c2ccccc21
InChIInChI=1S/C28H22O/c1-27(2)22-11-5-7-13-24(22)28(25-14-8-6-12-23(25)27)18-17-21-20-10-4-3-9-19(20)15-16-26(21)29-28/h3-18H,1-2H3
InChIKeyQKLLQNDHRTXKSB-UHFFFAOYSA-N
MW374.48 g/mol
LogP6.83
Rot. Bonds

About 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]

9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene] (PubChem CID 22084982) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene].

Molecular Properties

Compound Name9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
PubChem CID22084982
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]
SMILESCC1(C)c2ccccc2C2(C=Cc3c(ccc4ccccc34)O2)c2ccccc21
InChIInChI=1S/C28H22O/c1-27(2)22-11-5-7-13-24(22)28(25-14-8-6-12-23(25)27)18-17-21-20-10-4-3-9-19(20)15-16-26(21)29-28/h3-18H,1-2H3
InChIKeyQKLLQNDHRTXKSB-UHFFFAOYSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
CID 100954914
3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19083923
3-methyl-3-phenylbenzo[f]chromene
CID 10849806
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
CID 10527161
CID 10527161
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
CID 102063385
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-benzo[f]indole]
CID 3740164
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690
7'-methoxy-3'-methyl-2'-phenylspiro[benzo[f]chromene-3,4'-chromene]
CID 19084318
1,3,3-trimethylspiro[indole-2,2'-naphtho[2,1-f]chromene]
CID 19084395

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]?
The IUPAC name of 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene] (CID 22084982) is 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene].
What is the SMILES notation for 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]?
The canonical SMILES for 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene] is CC1(C)c2ccccc2C2(C=Cc3c(ccc4ccccc34)O2)c2ccccc21.
What is the InChIKey of 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]?
The InChIKey is QKLLQNDHRTXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-27(2)22-11-5-7-13-24(22)28(25-14-8-6-12-23(25)27)18-17-21-20-10-4-3-9-19(20)15-16-26(21)29-28/h3-18H,1-2H3.
What are the key properties of 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene]?
9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene] has a molecular weight of 374.48 g/mol, XLogP of 6.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylspiro[anthracene-10,3'-benzo[f]chromene] is sourced from PubChem (CID 22084982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).