17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene

C36H24 — CID 139779261

IUPAC17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene
SMILESC1=c2c3cccc4c5ccccc5cc(c5cccc(c25)C(c2ccccc2)(c2ccccc2)C1)c34
InChIInChI=1S/C36H24/c1-3-12-25(13-4-1)36(26-14-5-2-6-15-26)22-21-31-29-18-9-17-28-27-16-8-7-11-24(27)23-32(34(28)29)30-19-10-20-33(36)35(30)31/h1-21,23H,22H2
InChIKeyLIWKSFGJWGCMOU-UHFFFAOYSA-N
MW456.59 g/mol
LogP8.54
Rot. Bonds2

About 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene

17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene (PubChem CID 139779261) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene.

Molecular Properties

Compound Name17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene
PubChem CID139779261
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene
SMILESC1=c2c3cccc4c5ccccc5cc(c5cccc(c25)C(c2ccccc2)(c2ccccc2)C1)c34
InChIInChI=1S/C36H24/c1-3-12-25(13-4-1)36(26-14-5-2-6-15-26)22-21-31-29-18-9-17-28-27-16-8-7-11-24(27)23-32(34(28)29)30-19-10-20-33(36)35(30)31/h1-21,23H,22H2
InChIKeyLIWKSFGJWGCMOU-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 58.54
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 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene with MolForge

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Related Compounds

heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene;tetracene
CID 173170734
undecacyclo[19.17.1.12,16.13,7.126,34.08,13.025,39.028,33.015,42.020,41.038,40]dotetraconta-1(39),2(41),3,5,7(42),8,10,12,14,16,18,20,22,24,26,28,30,32,34(40),35,37-henicosaene
CID 101161805
heptacyclo[15.9.1.118,22.02,7.09,27.010,15.026,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22(28),23,25-tetradecaene
CID 22222732
6-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642860
nonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.023,28.029,34]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,29(34),30,32-heptadecaene
CID 21082984
heptacyclo[14.10.2.02,11.03,8.012,28.019,27.020,25]octacosa-1(26),2(11),3,5,7,9,12,14,16(28),17,19(27),20,22,24-tetradecaene
CID 15820922
nonacyclo[20.10.1.113,17.02,10.04,9.012,33.023,31.025,30.021,34]tetratriaconta-1(32),2,4,6,8,10,12(33),13,15,17(34),18,20,22,24,26,28,30-heptadecaene
CID 91927721
3-phenylheptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 59642464
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
1-benzofuran;heptacyclo[13.11.1.12,10.04,9.017,22.023,27.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19,21,23(27),24-tetradecaene
CID 87839224
14,29,44-tritert-butyltridecacyclo[32.11.1.14,12.119,27.02,33.03,17.06,11.018,32.021,26.036,41.042,46.016,48.031,47]octatetraconta-1(45),2,4,6,8,10,12(48),13,15,17,19,21,23,25,27(47),28,30,32,34,36,38,40,42(46),43-tetracosaene
CID 132518134
heptacyclo[13.11.1.12,6.011,27.017,26.018,23.010,28]octacosa-1(27),2(28),3,5,9,11,13,15,17(26),18,20,22,24-tridecaen-7-one
CID 141036059

Frequently Asked Questions

What is the IUPAC name of 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene?
The IUPAC name of 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene (CID 139779261) is 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene.
What is the SMILES notation for 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene?
The canonical SMILES for 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene is C1=c2c3cccc4c5ccccc5cc(c5cccc(c25)C(c2ccccc2)(c2ccccc2)C1)c34.
What is the InChIKey of 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene?
The InChIKey is LIWKSFGJWGCMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-3-12-25(13-4-1)36(26-14-5-2-6-15-26)22-21-31-29-18-9-17-28-27-16-8-7-11-24(27)23-32(34(28)29)30-19-10-20-33(36)35(30)31/h1-21,23H,22H2.
What are the key properties of 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene?
17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene has a molecular weight of 456.59 g/mol, XLogP of 8.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17,17-diphenylhexacyclo[11.9.1.114,18.03,8.09,23.022,24]tetracosa-1,3,5,7,9(23),10,12,14,18,20,22(24)-undecaene is sourced from PubChem (CID 139779261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).