14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

C80H48N2S2 — CID 122593702

IUPAC14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7c9c(ccc7n8-c7ccc(-c8ccccc8)cc7)sc7ccccc79)c7ccccc67)c6ccccc56)cc4c4c5c(ccc43)sc3ccccc35)cc2)cc1
InChIInChI=1S/C80H48N2S2/c1-3-15-49(16-4-1)51-27-33-55(34-28-51)81-69-41-31-53(47-67(69)77-71(81)43-45-75-79(77)65-23-11-13-25-73(65)83-75)57-37-39-63(61-21-9-7-19-59(57)61)64-40-38-58(60-20-8-10-22-62(60)64)54-32-42-70-68(48-54)78-72(44-46-76-80(78)66-24-12-14-26-74(66)84-76)82(70)56-35-29-52(30-36-56)50-17-5-2-6-18-50/h1-48H
InChIKeyYWRNSHORQMEZJT-UHFFFAOYSA-N
MW1101.41 g/mol
LogP23.26
Rot. Bonds7

About 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (PubChem CID 122593702) has the molecular formula C80H48N2S2 and a molecular weight of 1101.41 g/mol. Its IUPAC name is 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
PubChem CID122593702
Molecular FormulaC80H48N2S2
Molecular Weight1101.41 g/mol
Exact Mass1100.33
IUPAC Name14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7c9c(ccc7n8-c7ccc(-c8ccccc8)cc7)sc7ccccc79)c7ccccc67)c6ccccc56)cc4c4c5c(ccc43)sc3ccccc35)cc2)cc1
InChIInChI=1S/C80H48N2S2/c1-3-15-49(16-4-1)51-27-33-55(34-28-51)81-69-41-31-53(47-67(69)77-71(81)43-45-75-79(77)65-23-11-13-25-73(65)83-75)57-37-39-63(61-21-9-7-19-59(57)61)64-40-38-58(60-20-8-10-22-62(60)64)54-32-42-70-68(48-54)78-72(44-46-76-80(78)66-24-12-14-26-74(66)84-76)82(70)56-35-29-52(30-36-56)50-17-5-2-6-18-50/h1-48H
InChIKeyYWRNSHORQMEZJT-UHFFFAOYSA-N
XLogP23.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.41
LogP ≤ 523.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene 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

14-phenyl-18-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593601
14-phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593675
14-[4-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193582
14-[4-[4-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167193395
3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
CID 139496588
14-phenyl-6-[6-(4-phenylphenyl)pyren-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171575705
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]silane
CID 167382317
9-dibenzothiophen-1-yl-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961037
14-(3,5-diphenylphenyl)-18-fluoro-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 129290222
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510

Frequently Asked Questions

What is the IUPAC name of 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The IUPAC name of 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene (CID 122593702) is 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene.
What is the SMILES notation for 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The canonical SMILES for 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc(-c7ccc8c(c7)c7c9c(ccc7n8-c7ccc(-c8ccccc8)cc7)sc7ccccc79)c7ccccc67)c6ccccc56)cc4c4c5c(ccc43)sc3ccccc35)cc2)cc1.
What is the InChIKey of 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
The InChIKey is YWRNSHORQMEZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48N2S2/c1-3-15-49(16-4-1)51-27-33-55(34-28-51)81-69-41-31-53(47-67(69)77-71(81)43-45-75-79(77)65-23-11-13-25-73(65)83-75)57-37-39-63(61-21-9-7-19-59(57)61)64-40-38-58(60-20-8-10-22-62(60)64)54-32-42-70-68(48-54)78-72(44-46-76-80(78)66-24-12-14-26-74(66)84-76)82(70)56-35-29-52(30-36-56)50-17-5-2-6-18-50/h1-48H.
What are the key properties of 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene?
14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene has a molecular weight of 1101.41 g/mol, XLogP of 23.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene is sourced from PubChem (CID 122593702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).