9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene

C38H30 — CID 171743014

IUPAC9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(-c2cccc4ccccc24)ccc1-3
InChIInChI=1S/C38H30/c1-37(2)31-15-8-7-13-29(31)35-27-19-21-33-36(28(27)18-20-32(35)37)30-17-16-24(22-34(30)38(33,3)4)26-14-9-11-23-10-5-6-12-25(23)26/h5-22H,1-4H3
InChIKeyMTOCNQGMYJXWDM-UHFFFAOYSA-N
MW486.66 g/mol
LogP10.27
Rot. Bonds1

About 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene

9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene (PubChem CID 171743014) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene.

Molecular Properties

Compound Name9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
PubChem CID171743014
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(-c2cccc4ccccc24)ccc1-3
InChIInChI=1S/C38H30/c1-37(2)31-15-8-7-13-29(31)35-27-19-21-33-36(28(27)18-20-32(35)37)30-17-16-24(22-34(30)38(33,3)4)26-14-9-11-23-10-5-6-12-25(23)26/h5-22H,1-4H3
InChIKeyMTOCNQGMYJXWDM-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
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
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
9-(9,9-dimethylfluoren-2-yl)-15-[4-(12,12-dimethyl-15-naphthalen-1-yl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479669

Frequently Asked Questions

What is the IUPAC name of 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?
The IUPAC name of 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene (CID 171743014) is 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene.
What is the SMILES notation for 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?
The canonical SMILES for 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene is CC1(C)c2ccccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1cc(-c2cccc4ccccc24)ccc1-3.
What is the InChIKey of 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?
The InChIKey is MTOCNQGMYJXWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-37(2)31-15-8-7-13-29(31)35-27-19-21-33-36(28(27)18-20-32(35)37)30-17-16-24(22-34(30)38(33,3)4)26-14-9-11-23-10-5-6-12-25(23)26/h5-22H,1-4H3.
What are the key properties of 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene?
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene has a molecular weight of 486.66 g/mol, XLogP of 10.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene is sourced from PubChem (CID 171743014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).