7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C33H21ClO2 — CID 170536167

IUPAC7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(Cl)c4oc5ccc6oc7ccccc7c6c5c4c3)cc21
InChIInChI=1S/C33H21ClO2/c1-33(2)24-9-5-3-7-20(24)21-12-11-18(16-25(21)33)19-15-23-31-29(36-32(23)26(34)17-19)14-13-28-30(31)22-8-4-6-10-27(22)35-28/h3-17H,1-2H3
InChIKeyPZNWCSYYONIQFV-UHFFFAOYSA-N
MW484.98 g/mol
LogP10.11
Rot. Bonds1

About 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 170536167) has the molecular formula C33H21ClO2 and a molecular weight of 484.98 g/mol. Its IUPAC name is 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID170536167
Molecular FormulaC33H21ClO2
Molecular Weight484.98 g/mol
Exact Mass484.12
IUPAC Name7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(Cl)c4oc5ccc6oc7ccccc7c6c5c4c3)cc21
InChIInChI=1S/C33H21ClO2/c1-33(2)24-9-5-3-7-20(24)21-12-11-18(16-25(21)33)19-15-23-31-29(36-32(23)26(34)17-19)14-13-28-30(31)22-8-4-6-10-27(22)35-28/h3-17H,1-2H3
InChIKeyPZNWCSYYONIQFV-UHFFFAOYSA-N
XLogP10.11
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536283
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130185529
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130213656
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
4-chloro-2-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 155005088
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 118614795

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 170536167) is 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2ccc(-c3cc(Cl)c4oc5ccc6oc7ccccc7c6c5c4c3)cc21.
What is the InChIKey of 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is PZNWCSYYONIQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClO2/c1-33(2)24-9-5-3-7-20(24)21-12-11-18(16-25(21)33)19-15-23-31-29(36-32(23)26(34)17-19)14-13-28-30(31)22-8-4-6-10-27(22)35-28/h3-17H,1-2H3.
What are the key properties of 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 484.98 g/mol, XLogP of 10.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 170536167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).