12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C53H36 — CID 140710600

IUPAC12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC1(C)c2ccc3ccccc3c2-c2c1cc(-c1cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3ccccc3c1)c1ccccc21
InChIInChI=1S/C53H36/c1-53(2)49-26-25-34-12-5-8-16-44(34)51(49)52-46-18-10-9-17-45(46)48(32-50(52)53)42-30-40-14-6-7-15-43(40)47(31-42)41-24-23-38-28-37(21-22-39(38)29-41)36-20-19-33-11-3-4-13-35(33)27-36/h3-32H,1-2H3
InChIKeyYGMNLBLRLDUUNP-UHFFFAOYSA-N
MW672.87 g/mol
LogP14.76
Rot. Bonds3

About 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 140710600) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID140710600
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESCC1(C)c2ccc3ccccc3c2-c2c1cc(-c1cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3ccccc3c1)c1ccccc21
InChIInChI=1S/C53H36/c1-53(2)49-26-25-34-12-5-8-16-44(34)51(49)52-46-18-10-9-17-45(46)48(32-50(52)53)42-30-40-14-6-7-15-43(40)47(31-42)41-24-23-38-28-37(21-22-39(38)29-41)36-20-19-33-11-3-4-13-35(33)27-36/h3-32H,1-2H3
InChIKeyYGMNLBLRLDUUNP-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

12,12-dimethyl-9-naphthalen-2-yl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710788
12,12-dimethyl-9,15-dinaphthalen-2-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151535
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602
7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
9-(12,12-dimethyl-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)-12,12-dimethyl-15-naphthalen-1-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479641
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151571
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
12,12-dimethyl-9-[3-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 140710665
9-(9,10-dinaphthalen-2-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 58323017
11-(7,7-dimethylbenzo[g]fluoren-9-yl)-14,14-dimethylheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26,28-tetradecaene
CID 171742700

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 140710600) is 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC1(C)c2ccc3ccccc3c2-c2c1cc(-c1cc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c3ccccc3c1)c1ccccc21.
What is the InChIKey of 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is YGMNLBLRLDUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-53(2)49-26-25-34-12-5-8-16-44(34)51(49)52-46-18-10-9-17-45(46)48(32-50(52)53)42-30-40-14-6-7-15-43(40)47(31-42)41-24-23-38-28-37(21-22-39(38)29-41)36-20-19-33-11-3-4-13-35(33)27-36/h3-32H,1-2H3.
What are the key properties of 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 672.87 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 140710600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).