7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene

C50H26F2 — CID 58471039

IUPAC7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
SMILESFc1ccccc1-c1cc2c3cc4c(cc3c(-c3ccccc3F)cc2c2cc3c(cc12)-c1cccc2cccc-3c12)-c1cccc2cccc-4c12
InChIInChI=1S/C50H26F2/c51-47-19-3-1-13-29(47)35-21-43-44(45-25-39-33-17-7-11-27-9-5-15-31(49(27)33)37(39)23-41(35)45)22-36(30-14-2-4-20-48(30)52)42-24-38-32-16-6-10-28-12-8-18-34(50(28)32)40(38)26-46(42)43/h1-26H
InChIKeyGOSMBABLUCLTQH-UHFFFAOYSA-N
MW664.75 g/mol
LogP14.36
Rot. Bonds2

About 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene

7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene (PubChem CID 58471039) has the molecular formula C50H26F2 and a molecular weight of 664.75 g/mol. Its IUPAC name is 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene.

Molecular Properties

Compound Name7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
PubChem CID58471039
Molecular FormulaC50H26F2
Molecular Weight664.75 g/mol
Exact Mass664.20
IUPAC Name7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
SMILESFc1ccccc1-c1cc2c3cc4c(cc3c(-c3ccccc3F)cc2c2cc3c(cc12)-c1cccc2cccc-3c12)-c1cccc2cccc-4c12
InChIInChI=1S/C50H26F2/c51-47-19-3-1-13-29(47)35-21-43-44(45-25-39-33-17-7-11-27-9-5-15-31(49(27)33)37(39)23-41(35)45)22-36(30-14-2-4-20-48(30)52)42-24-38-32-16-6-10-28-12-8-18-34(50(28)32)40(38)26-46(42)43/h1-26H
InChIKeyGOSMBABLUCLTQH-UHFFFAOYSA-N
XLogP14.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.75
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene 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

2-(25-pyridin-2-yl-7-decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4,6,8(22),9,11,13,15(38),16,18,20,23,25,27,29,31,33(37),34-nonadecaenyl)pyridine
CID 58471026
fluoranthene
CID 139203734
benzo[k]fluoranthene;ethane
CID 142369852
7,16-bis(2-cyanophenyl)heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8(13),9,11,14,16,18,20,22,24(28),25-tetradecaene-10-carbonitrile
CID 118267890
7,25-bis(4-tert-butyl-2,6-dimethylphenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
CID 58471068
5-fluoro-3-(2-fluorophenyl)quinolin-2-amine
CID 122688136
8-methylbenzo[k]fluoranthene
CID 13440508
ethane;fluoranthene;triphenylene
CID 160720447
8-chlorofluoranthene
CID 15737453
CID 159042007
CID 159042007
4-[16-(4-cyano-2-isocyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]-3-isocyanobenzonitrile
CID 156630025
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056

Frequently Asked Questions

What is the IUPAC name of 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene?
The IUPAC name of 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene (CID 58471039) is 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene.
What is the SMILES notation for 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene?
The canonical SMILES for 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene is Fc1ccccc1-c1cc2c3cc4c(cc3c(-c3ccccc3F)cc2c2cc3c(cc12)-c1cccc2cccc-3c12)-c1cccc2cccc-4c12.
What is the InChIKey of 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene?
The InChIKey is GOSMBABLUCLTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26F2/c51-47-19-3-1-13-29(47)35-21-43-44(45-25-39-33-17-7-11-27-9-5-15-31(49(27)33)37(39)23-41(35)45)22-36(30-14-2-4-20-48(30)52)42-24-38-32-16-6-10-28-12-8-18-34(50(28)32)40(38)26-46(42)43/h1-26H.
What are the key properties of 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene?
7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene has a molecular weight of 664.75 g/mol, XLogP of 14.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,25-bis(2-fluorophenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene is sourced from PubChem (CID 58471039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).