6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene

C51H42 — CID 140783337

IUPAC6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene
SMILESCC1(C)c2cc3cc4ccc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c4cc3cc2C(C)(C)C1(C)C
InChIInChI=1S/C51H42/c1-49(2)45-29-35-27-33-24-25-38-37(44(33)28-36(35)30-46(45)50(3,4)51(49,5)6)20-13-21-39(38)48-42-18-11-9-16-40(42)47(41-17-10-12-19-43(41)48)34-23-22-31-14-7-8-15-32(31)26-34/h7-30H,1-6H3
InChIKeyOIMJUUPSBNSVDE-UHFFFAOYSA-N
MW654.90 g/mol
LogP14.53
Rot. Bonds2

About 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene

6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene (PubChem CID 140783337) has the molecular formula C51H42 and a molecular weight of 654.90 g/mol. Its IUPAC name is 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene.

Molecular Properties

Compound Name6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene
PubChem CID140783337
Molecular FormulaC51H42
Molecular Weight654.90 g/mol
Exact Mass654.33
IUPAC Name6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene
SMILESCC1(C)c2cc3cc4ccc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c4cc3cc2C(C)(C)C1(C)C
InChIInChI=1S/C51H42/c1-49(2)45-29-35-27-33-24-25-38-37(44(33)28-36(35)30-46(45)50(3,4)51(49,5)6)20-13-21-39(38)48-42-18-11-9-16-40(42)47(41-17-10-12-19-43(41)48)34-23-22-31-14-7-8-15-32(31)26-34/h7-30H,1-6H3
InChIKeyOIMJUUPSBNSVDE-UHFFFAOYSA-N
XLogP14.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.90
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene with MolForge

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Related Compounds

6,6,7,7,8,8-hexamethyl-18-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene
CID 140783333
7-anthracen-2-yl-4-[4-[7-(7-anthracen-2-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-4-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412700
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412578
4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene;5-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene;2-(10-naphthalen-2-ylanthracen-9-yl)triphenylene
CID 159591675
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
7-(10-naphthalen-2-ylanthracen-9-yl)-4-[7-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracen-4-yl]benzo[a]anthracene
CID 59412748

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene?
The IUPAC name of 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene (CID 140783337) is 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene.
What is the SMILES notation for 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene?
The canonical SMILES for 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene is CC1(C)c2cc3cc4ccc5c(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)cccc5c4cc3cc2C(C)(C)C1(C)C.
What is the InChIKey of 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene?
The InChIKey is OIMJUUPSBNSVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H42/c1-49(2)45-29-35-27-33-24-25-38-37(44(33)28-36(35)30-46(45)50(3,4)51(49,5)6)20-13-21-39(38)48-42-18-11-9-16-40(42)47(41-17-10-12-19-43(41)48)34-23-22-31-14-7-8-15-32(31)26-34/h7-30H,1-6H3.
What are the key properties of 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene?
6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene has a molecular weight of 654.90 g/mol, XLogP of 14.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8-hexamethyl-18-(10-naphthalen-2-ylanthracen-9-yl)pentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1,3,5(9),10,12,14(19),15,17,20-nonaene is sourced from PubChem (CID 140783337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).