15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene

C55H38S — CID 130212226

IUPAC15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCC1(C)c2ccc(-c3ccc(-c4ccccccc(-c5cccc6ccccc56)c5ccccc45)cc3)cc2-c2ccc3c(ccc4sc5ccccc5c43)c21
InChIInChI=1S/C55H38S/c1-55(2)50-32-28-38(34-49(50)47-30-29-45-46(54(47)55)31-33-52-53(45)48-21-11-12-23-51(48)56-52)35-24-26-37(27-25-35)40-16-5-3-4-6-18-43(44-20-10-9-19-41(40)44)42-22-13-15-36-14-7-8-17-39(36)42/h3-34H,1-2H3/b4-3-,5-3-,6-4-,16-5+,18-6+,40-16+,41-40+,43-18+,44-43+
InChIKeyZVYNDSIGEMIQMB-VVGVTQPVSA-N
MW730.98 g/mol
LogP15.95
Rot. Bonds3

About 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene

15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene (PubChem CID 130212226) has the molecular formula C55H38S and a molecular weight of 730.98 g/mol. Its IUPAC name is 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene.

Molecular Properties

Compound Name15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
PubChem CID130212226
Molecular FormulaC55H38S
Molecular Weight730.98 g/mol
Exact Mass730.27
IUPAC Name15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
SMILESCC1(C)c2ccc(-c3ccc(-c4ccccccc(-c5cccc6ccccc56)c5ccccc45)cc3)cc2-c2ccc3c(ccc4sc5ccccc5c43)c21
InChIInChI=1S/C55H38S/c1-55(2)50-32-28-38(34-49(50)47-30-29-45-46(54(47)55)31-33-52-53(45)48-21-11-12-23-51(48)56-52)35-24-26-37(27-25-35)40-16-5-3-4-6-18-43(44-20-10-9-19-41(40)44)42-22-13-15-36-14-7-8-17-39(36)42/h3-34H,1-2H3/b4-3-,5-3-,6-4-,16-5+,18-6+,40-16+,41-40+,43-18+,44-43+
InChIKeyZVYNDSIGEMIQMB-VVGVTQPVSA-N
XLogP15.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.98
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene 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

16,16-dimethyl-20-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130213403
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-2-amine
CID 170042923
4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779575
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426884
14,14-dimethyl-16-(6-phenylpyren-1-yl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169035215
14,14-dimethyl-6-(6-naphthalen-1-ylpyren-1-yl)-9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 169035220
22,22-dimethyl-18-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 164704374
1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene
CID 164736739
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-2-yl-N-phenylaniline
CID 170036987
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043418
15,15-dimethyl-19-[4-(10-phenylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,19,23-undecaene
CID 130212177
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
The IUPAC name of 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene (CID 130212226) is 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene.
What is the SMILES notation for 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
The canonical SMILES for 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene is CC1(C)c2ccc(-c3ccc(-c4ccccccc(-c5cccc6ccccc56)c5ccccc45)cc3)cc2-c2ccc3c(ccc4sc5ccccc5c43)c21.
What is the InChIKey of 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
The InChIKey is ZVYNDSIGEMIQMB-VVGVTQPVSA-N. The full InChI is InChI=1S/C55H38S/c1-55(2)50-32-28-38(34-49(50)47-30-29-45-46(54(47)55)31-33-52-53(45)48-21-11-12-23-51(48)56-52)35-24-26-37(27-25-35)40-16-5-3-4-6-18-43(44-20-10-9-19-41(40)44)42-22-13-15-36-14-7-8-17-39(36)42/h3-34H,1-2H3/b4-3-,5-3-,6-4-,16-5+,18-6+,40-16+,41-40+,43-18+,44-43+.
What are the key properties of 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene?
15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene has a molecular weight of 730.98 g/mol, XLogP of 15.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene is sourced from PubChem (CID 130212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).