17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene

C51H32S — CID 146578653

IUPAC17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
SMILESc1ccc(-c2ccc(-c3ccc(C4c5c(c6ccccc6c6ccccc56)Sc5c4c4ccccc4c4ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C51H32S/c1-2-14-32(15-3-1)35-30-31-36(38-17-5-4-16-37(35)38)33-26-28-34(29-27-33)47-48-43-22-10-6-18-39(43)41-20-8-12-24-45(41)50(48)52-51-46-25-13-9-21-42(46)40-19-7-11-23-44(40)49(47)51/h1-31,47H
InChIKeyOYESHPVDXHIDBD-UHFFFAOYSA-N
MW676.88 g/mol
LogP14.43
Rot. Bonds3

About 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene

17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene (PubChem CID 146578653) has the molecular formula C51H32S and a molecular weight of 676.88 g/mol. Its IUPAC name is 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene.

Molecular Properties

Compound Name17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
PubChem CID146578653
Molecular FormulaC51H32S
Molecular Weight676.88 g/mol
Exact Mass676.22
IUPAC Name17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
SMILESc1ccc(-c2ccc(-c3ccc(C4c5c(c6ccccc6c6ccccc56)Sc5c4c4ccccc4c4ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C51H32S/c1-2-14-32(15-3-1)35-30-31-36(38-17-5-4-16-37(35)38)33-26-28-34(29-27-33)47-48-43-22-10-6-18-39(43)41-20-8-12-24-45(41)50(48)52-51-46-25-13-9-21-42(46)40-19-7-11-23-44(40)49(47)51/h1-31,47H
InChIKeyOYESHPVDXHIDBD-UHFFFAOYSA-N
XLogP14.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.88
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene with MolForge

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Related Compounds

17-(4-naphthalen-2-ylphenyl)-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 146578085
9-phenyl-2-(2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaen-17-yl)carbazole
CID 146578711
17-benzyl-17-[[4-(4-phenylnaphthalen-1-yl)phenyl]methyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 157328465
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
17-(3-naphthalen-2-ylphenyl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(4-phenylnaphthalen-1-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(6-phenylnaphthalen-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene;17-(8-phenylnaphthalen-2-yl)-2-oxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 158777878
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
CID 177495996
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
9-[4-[4-[4-(9H-fluoren-9-yl)-2-phenylphenyl]phenyl]phenyl]-9H-fluorene
CID 58556038
17-phenyl-17-[4-(4-phenylphenyl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
CID 146578202
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035

Frequently Asked Questions

What is the IUPAC name of 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
The IUPAC name of 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene (CID 146578653) is 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene.
What is the SMILES notation for 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
The canonical SMILES for 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene is c1ccc(-c2ccc(-c3ccc(C4c5c(c6ccccc6c6ccccc56)Sc5c4c4ccccc4c4ccccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
The InChIKey is OYESHPVDXHIDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32S/c1-2-14-32(15-3-1)35-30-31-36(38-17-5-4-16-37(35)38)33-26-28-34(29-27-33)47-48-43-22-10-6-18-39(43)41-20-8-12-24-45(41)50(48)52-51-46-25-13-9-21-42(46)40-19-7-11-23-44(40)49(47)51/h1-31,47H.
What are the key properties of 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene?
17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene has a molecular weight of 676.88 g/mol, XLogP of 14.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(4-phenylnaphthalen-1-yl)phenyl]-2-thiaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene is sourced from PubChem (CID 146578653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).