10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene

C37H26O — CID 122629643

IUPAC10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3-c3c(ccc5ccccc35)O4)cc21
InChIInChI=1S/C37H26O/c1-37(2)32-14-8-7-12-28(32)29-18-15-25(22-33(29)37)24-17-19-34-31(21-24)27-11-5-6-13-30(27)36-26-10-4-3-9-23(26)16-20-35(36)38-34/h3-22H,1-2H3
InChIKeyOAWXYWBNLGENOX-UHFFFAOYSA-N
MW486.61 g/mol
LogP10.25
Rot. Bonds1

About 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene

10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene (PubChem CID 122629643) has the molecular formula C37H26O and a molecular weight of 486.61 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene
PubChem CID122629643
Molecular FormulaC37H26O
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3-c3c(ccc5ccccc35)O4)cc21
InChIInChI=1S/C37H26O/c1-37(2)32-14-8-7-12-28(32)29-18-15-25(22-33(29)37)24-17-19-34-31(21-24)27-11-5-6-13-30(27)36-26-10-4-3-9-23(26)16-20-35(36)38-34/h3-22H,1-2H3
InChIKeyOAWXYWBNLGENOX-UHFFFAOYSA-N
XLogP10.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.61
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene with MolForge

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Related Compounds

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
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578778
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
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
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin
CID 134166054
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-3-amine
CID 176597813
9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597787
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene (CID 122629643) is 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)-c3ccccc3-c3c(ccc5ccccc35)O4)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene?
The InChIKey is OAWXYWBNLGENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O/c1-37(2)32-14-8-7-12-28(32)29-18-15-25(22-33(29)37)24-17-19-34-31(21-24)27-11-5-6-13-30(27)36-26-10-4-3-9-23(26)16-20-35(36)38-34/h3-22H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene?
10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene has a molecular weight of 486.61 g/mol, XLogP of 10.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8(13),9,11,16,18,20,22-undecaene is sourced from PubChem (CID 122629643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).