3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene

C49H34O — CID 170027969

IUPAC3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)ccc21
InChIInChI=1S/C49H34O/c1-48(37-17-5-2-6-18-37)42-23-13-14-24-46(42)50-47-32-36(26-28-43(47)48)35-25-27-40-41-29-33-15-11-12-16-34(33)30-45(41)49(44(40)31-35,38-19-7-3-8-20-38)39-21-9-4-10-22-39/h2-32H,1H3
InChIKeyKRGNONFAIWCGNR-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.33
Rot. Bonds4

About 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene

3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene (PubChem CID 170027969) has the molecular formula C49H34O and a molecular weight of 638.81 g/mol. Its IUPAC name is 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene.

Molecular Properties

Compound Name3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
PubChem CID170027969
Molecular FormulaC49H34O
Molecular Weight638.81 g/mol
Exact Mass638.26
IUPAC Name3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)ccc21
InChIInChI=1S/C49H34O/c1-48(37-17-5-2-6-18-37)42-23-13-14-24-46(42)50-47-32-36(26-28-43(47)48)35-25-27-40-41-29-33-15-11-12-16-34(33)30-45(41)49(44(40)31-35,38-19-7-3-8-20-38)39-21-9-4-10-22-39/h2-32H,1H3
InChIKeyKRGNONFAIWCGNR-UHFFFAOYSA-N
XLogP12.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene with MolForge

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Related Compounds

2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
CID 170017622
2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
4-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170025175
9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170027656
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367

Frequently Asked Questions

What is the IUPAC name of 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene?
The IUPAC name of 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene (CID 170027969) is 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene.
What is the SMILES notation for 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene?
The canonical SMILES for 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene is CC1(c2ccccc2)c2ccccc2Oc2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5ccccc5cc3-4)ccc21.
What is the InChIKey of 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene?
The InChIKey is KRGNONFAIWCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-48(37-17-5-2-6-18-37)42-23-13-14-24-46(42)50-47-32-36(26-28-43(47)48)35-25-27-40-41-29-33-15-11-12-16-34(33)30-45(41)49(44(40)31-35,38-19-7-3-8-20-38)39-21-9-4-10-22-39/h2-32H,1H3.
What are the key properties of 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene?
3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene has a molecular weight of 638.81 g/mol, XLogP of 12.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene is sourced from PubChem (CID 170027969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).