10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C36H28 — CID 143953159

IUPAC10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCc1c2ccccc2c(-c2cccc(-c3ccccc3)c2)c2cc3c(cc12)C(C)(C)c1ccccc1-3
InChIInChI=1S/C36H28/c1-23-27-16-7-8-18-29(27)35(26-15-11-14-25(20-26)24-12-5-4-6-13-24)32-21-31-28-17-9-10-19-33(28)36(2,3)34(31)22-30(23)32/h4-22H,1-3H3
InChIKeyHRNFZDDBESCFOC-UHFFFAOYSA-N
MW460.62 g/mol
LogP9.94
Rot. Bonds2

About 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 143953159) has the molecular formula C36H28 and a molecular weight of 460.62 g/mol. Its IUPAC name is 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

Compound Name10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
PubChem CID143953159
Molecular FormulaC36H28
Molecular Weight460.62 g/mol
Exact Mass460.22
IUPAC Name10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCc1c2ccccc2c(-c2cccc(-c3ccccc3)c2)c2cc3c(cc12)C(C)(C)c1ccccc1-3
InChIInChI=1S/C36H28/c1-23-27-16-7-8-18-29(27)35(26-15-11-14-25(20-26)24-12-5-4-6-13-24)32-21-31-28-17-9-10-19-33(28)36(2,3)34(31)22-30(23)32/h4-22H,1-3H3
InChIKeyHRNFZDDBESCFOC-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
21-fluoranthen-3-yl-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175506
9-methyl-10-(3-phenylphenyl)anthracene
CID 58599979
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
10,10-dimethyl-7-phenanthren-9-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7,14,21-tris(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 160690391
10,10-dimethyl-17-naphthalen-2-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175422

Frequently Asked Questions

What is the IUPAC name of 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The IUPAC name of 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 143953159) is 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.
What is the SMILES notation for 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The canonical SMILES for 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is Cc1c2ccccc2c(-c2cccc(-c3ccccc3)c2)c2cc3c(cc12)C(C)(C)c1ccccc1-3.
What is the InChIKey of 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The InChIKey is HRNFZDDBESCFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28/c1-23-27-16-7-8-18-29(27)35(26-15-11-14-25(20-26)24-12-5-4-6-13-24)32-21-31-28-17-9-10-19-33(28)36(2,3)34(31)22-30(23)32/h4-22H,1-3H3.
What are the key properties of 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 460.62 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,14-trimethyl-21-(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 143953159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).