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

C47H40 — CID 140783333

IUPAC6,6,7,7,8,8-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
SMILESCC1(C)c2cc3cc4ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4cc3cc2C(C)(C)C1(C)C
InChIInChI=1S/C47H40/c1-45(2)41-27-31-25-30-23-24-34-33(40(30)26-32(31)28-42(41)46(3,4)47(45,5)6)21-14-22-35(34)44-38-19-12-10-17-36(38)43(29-15-8-7-9-16-29)37-18-11-13-20-39(37)44/h7-28H,1-6H3
InChIKeyCUXVWBJNIORHDC-UHFFFAOYSA-N
MW604.84 g/mol
LogP13.38
Rot. Bonds2

About 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

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 (PubChem CID 140783333) has the molecular formula C47H40 and a molecular weight of 604.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,6,7,7,8,8-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
PubChem CID140783333
Molecular FormulaC47H40
Molecular Weight604.84 g/mol
Exact Mass604.31
IUPAC Name6,6,7,7,8,8-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
SMILESCC1(C)c2cc3cc4ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4cc3cc2C(C)(C)C1(C)C
InChIInChI=1S/C47H40/c1-45(2)41-27-31-25-30-23-24-34-33(40(30)26-32(31)28-42(41)46(3,4)47(45,5)6)21-14-22-35(34)44-38-19-12-10-17-36(38)43(29-15-8-7-9-16-29)37-18-11-13-20-39(37)44/h7-28H,1-6H3
InChIKeyCUXVWBJNIORHDC-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.84
LogP ≤ 513.38
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-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 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

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
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 123540167
6,6,9,20,20-pentamethylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 160898842
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335
4-[10-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724450
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
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3cc4ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4cc3cc2C(C)(C)C1(C)C.
What is the InChIKey of 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?
The InChIKey is CUXVWBJNIORHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40/c1-45(2)41-27-31-25-30-23-24-34-33(40(30)26-32(31)28-42(41)46(3,4)47(45,5)6)21-14-22-35(34)44-38-19-12-10-17-36(38)43(29-15-8-7-9-16-29)37-18-11-13-20-39(37)44/h7-28H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 604.84 g/mol, XLogP of 13.38, 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-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 is sourced from PubChem (CID 140783333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).