17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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

C66H42S — CID 146578707

IUPAC17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1
InChIInChI=1S/C66H42S/c1-4-20-45(21-5-1)65(46-22-6-2-7-23-46)59-35-19-18-30-53(59)54-41-38-44(42-60(54)65)43-36-39-48(40-37-43)66(47-24-8-3-9-25-47)61-55-31-14-10-26-49(55)51-28-12-16-33-57(51)63(61)67-64-58-34-17-13-29-52(58)50-27-11-15-32-56(50)62(64)66/h1-42H
InChIKeyKHVPBZKTLKWCFR-UHFFFAOYSA-N
MW867.13 g/mol
LogP17.18
Rot. Bonds5

About 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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 146578707) has the molecular formula C66H42S and a molecular weight of 867.13 g/mol. Its IUPAC name is 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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 CID146578707
Molecular FormulaC66H42S
Molecular Weight867.13 g/mol
Exact Mass866.30
IUPAC Name17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1
InChIInChI=1S/C66H42S/c1-4-20-45(21-5-1)65(46-22-6-2-7-23-46)59-35-19-18-30-53(59)54-41-38-44(42-60(54)65)43-36-39-48(40-37-43)66(47-24-8-3-9-25-47)61-55-31-14-10-26-49(55)51-28-12-16-33-57(51)63(61)67-64-58-34-17-13-29-52(58)50-27-11-15-32-56(50)62(64)66/h1-42H
InChIKeyKHVPBZKTLKWCFR-UHFFFAOYSA-N
XLogP17.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.13
LogP ≤ 517.18
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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-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
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
17-(9,9-diphenylfluoren-2-yl)-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 146578675
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthrene
CID 123590616
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072

Frequently Asked Questions

What is the IUPAC name of 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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 146578707) is 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(C5(c6ccccc6)c6c(c7ccccc7c7ccccc67)Sc6c5c5ccccc5c5ccccc65)cc4)cc32)cc1.
What is the InChIKey of 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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 KHVPBZKTLKWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42S/c1-4-20-45(21-5-1)65(46-22-6-2-7-23-46)59-35-19-18-30-53(59)54-41-38-44(42-60(54)65)43-36-39-48(40-37-43)66(47-24-8-3-9-25-47)61-55-31-14-10-26-49(55)51-28-12-16-33-57(51)63(61)67-64-58-34-17-13-29-52(58)50-27-11-15-32-56(50)62(64)66/h1-42H.
What are the key properties of 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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-(9,9-diphenylfluoren-2-yl)phenyl]-17-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 867.13 g/mol, XLogP of 17.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(9,9-diphenylfluoren-2-yl)phenyl]-17-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 146578707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).