15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C41H28O — CID 171045941

IUPAC15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESCC1(C)c2cc(-c3cc4c5c(cccc5c3)Oc3ccc(-c5ccccc5)cc3-4)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C41H28O/c1-41(2)36-24-29(15-17-32(36)33-20-26-11-6-7-12-27(26)23-37(33)41)31-19-30-13-8-14-39-40(30)35(22-31)34-21-28(16-18-38(34)42-39)25-9-4-3-5-10-25/h3-24H,1-2H3
InChIKeyHYXRIPHHSRLMQH-UHFFFAOYSA-N
MW536.67 g/mol
LogP11.41
Rot. Bonds2

About 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 171045941) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID171045941
Molecular FormulaC41H28O
Molecular Weight536.67 g/mol
Exact Mass536.21
IUPAC Name15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESCC1(C)c2cc(-c3cc4c5c(cccc5c3)Oc3ccc(-c5ccccc5)cc3-4)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C41H28O/c1-41(2)36-24-29(15-17-32(36)33-20-26-11-6-7-12-27(26)23-37(33)41)31-19-30-13-8-14-39-40(30)35(22-31)34-21-28(16-18-38(34)42-39)25-9-4-3-5-10-25/h3-24H,1-2H3
InChIKeyHYXRIPHHSRLMQH-UHFFFAOYSA-N
XLogP11.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene with MolForge

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Related Compounds

12-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045729
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031270
4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenylphenyl]-12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045033
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
4-[3-(11,11-dimethylbenzo[b]fluoren-8-yl)phenyl]-12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171044690
2-(9,9-dimethylfluoren-3-yl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164936930
10-(9,9-dimethylfluoren-2-yl)-18-naphthalen-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 139373027
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171046100
4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-12-(2,3,4,5,6-pentadeuteriophenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 171045498
4-(9,9-dimethylfluoren-3-yl)-6-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-2-phenylpyrimidine
CID 164936996
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992

Frequently Asked Questions

What is the IUPAC name of 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 171045941) is 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is CC1(C)c2cc(-c3cc4c5c(cccc5c3)Oc3ccc(-c5ccccc5)cc3-4)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is HYXRIPHHSRLMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c1-41(2)36-24-29(15-17-32(36)33-20-26-11-6-7-12-27(26)23-37(33)41)31-19-30-13-8-14-39-40(30)35(22-31)34-21-28(16-18-38(34)42-39)25-9-4-3-5-10-25/h3-24H,1-2H3.
What are the key properties of 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 536.67 g/mol, XLogP of 11.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 171045941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).