8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene

C60H50 — CID 123541723

IUPAC8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
SMILESCC(C)c1cc2c3cc4c(cc3ccc2c2cc(-c3ccc5c(c3)C(C)(C)c3cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc3-5)ccc12)C(C)(C)c1ccccc1-4
InChIInChI=1S/C60H50/c1-34(2)47-32-50-41(23-21-39-31-57-51(33-48(39)50)43-14-10-12-16-53(43)59(57,5)6)49-27-35(17-22-40(47)49)36-18-25-45-46-26-20-38(30-56(46)60(7,8)55(45)28-36)37-19-24-44-42-13-9-11-15-52(42)58(3,4)54(44)29-37/h9-34H,1-8H3
InChIKeyTWQKLNYMJYMLMV-UHFFFAOYSA-N
MW771.06 g/mol
LogP16.52
Rot. Bonds3

About 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene

8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene (PubChem CID 123541723) has the molecular formula C60H50 and a molecular weight of 771.06 g/mol. Its IUPAC name is 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene.

Molecular Properties

Compound Name8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
PubChem CID123541723
Molecular FormulaC60H50
Molecular Weight771.06 g/mol
Exact Mass770.39
IUPAC Name8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
SMILESCC(C)c1cc2c3cc4c(cc3ccc2c2cc(-c3ccc5c(c3)C(C)(C)c3cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc3-5)ccc12)C(C)(C)c1ccccc1-4
InChIInChI=1S/C60H50/c1-34(2)47-32-50-41(23-21-39-31-57-51(33-48(39)50)43-14-10-12-16-53(43)59(57,5)6)49-27-35(17-22-40(47)49)36-18-25-45-46-26-20-38(30-56(46)60(7,8)55(45)28-36)37-19-24-44-42-13-9-11-15-52(42)58(3,4)54(44)29-37/h9-34H,1-8H3
InChIKeyTWQKLNYMJYMLMV-UHFFFAOYSA-N
XLogP16.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.06
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene 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

3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-2-ylchrysene
CID 58511730
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
17,17-dimethyl-7-(6-phenanthren-2-ylnaphthalen-2-yl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
CID 123522129
10,10-dimethyl-16-(3-phenyl-5-triphenylen-2-ylphenyl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 160900630
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
3-(9,9-dimethyl-7-phenanthren-2-ylfluoren-2-yl)chrysene
CID 123538339
6,12-bis(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylchrysene
CID 58511674
21-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569858
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434

Frequently Asked Questions

What is the IUPAC name of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene?
The IUPAC name of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene (CID 123541723) is 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene.
What is the SMILES notation for 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene?
The canonical SMILES for 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene is CC(C)c1cc2c3cc4c(cc3ccc2c2cc(-c3ccc5c(c3)C(C)(C)c3cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc3-5)ccc12)C(C)(C)c1ccccc1-4.
What is the InChIKey of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene?
The InChIKey is TWQKLNYMJYMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50/c1-34(2)47-32-50-41(23-21-39-31-57-51(33-48(39)50)43-14-10-12-16-53(43)59(57,5)6)49-27-35(17-22-40(47)49)36-18-25-45-46-26-20-38(30-56(46)60(7,8)55(45)28-36)37-19-24-44-42-13-9-11-15-52(42)58(3,4)54(44)29-37/h9-34H,1-8H3.
What are the key properties of 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene?
8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene has a molecular weight of 771.06 g/mol, XLogP of 16.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-17,17-dimethyl-4-propan-2-ylhexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene is sourced from PubChem (CID 123541723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).