9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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

C98H58N8S2 — CID 163457204

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7sc8cc(-c9ccc(-c%10cc(-c%11ccccc%11)nc(-n%11c%12ccccc%12c%12c%13c%14ccccc%14n(-c%14cccc%15c%14sc%14c(-c%16ccccc%16)cccc%14%15)c%13ccc%12%11)n%10)cc9)ccc8c7c6)c5ccc43)n2)cc1
InChIInChI=1S/C98H58N8S2/c1-5-23-60(24-6-1)67-35-21-36-69-70-37-22-42-88(96(70)108-95(67)69)104-81-39-18-14-32-72(81)92-85(104)51-53-87-94(92)74-34-16-20-41-83(74)106(87)98-101-78(63-29-11-4-12-30-63)58-79(102-98)64-45-43-59(44-46-64)65-47-49-68-75-56-66(48-54-89(75)107-90(68)55-65)103-80-38-17-13-31-71(80)91-84(103)50-52-86-93(91)73-33-15-19-40-82(73)105(86)97-99-76(61-25-7-2-8-26-61)57-77(100-97)62-27-9-3-10-28-62/h1-58H
InChIKeyBLMNOQOJFZHBAC-UHFFFAOYSA-N
MW1411.73 g/mol
LogP26.39
Rot. Bonds10

About 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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

9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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 (PubChem CID 163457204) has the molecular formula C98H58N8S2 and a molecular weight of 1411.73 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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
PubChem CID163457204
Molecular FormulaC98H58N8S2
Molecular Weight1411.73 g/mol
Exact Mass1410.42
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7sc8cc(-c9ccc(-c%10cc(-c%11ccccc%11)nc(-n%11c%12ccccc%12c%12c%13c%14ccccc%14n(-c%14cccc%15c%14sc%14c(-c%16ccccc%16)cccc%14%15)c%13ccc%12%11)n%10)cc9)ccc8c7c6)c5ccc43)n2)cc1
InChIInChI=1S/C98H58N8S2/c1-5-23-60(24-6-1)67-35-21-36-69-70-37-22-42-88(96(70)108-95(67)69)104-81-39-18-14-32-72(81)92-85(104)51-53-87-94(92)74-34-16-20-41-83(74)106(87)98-101-78(63-29-11-4-12-30-63)58-79(102-98)64-45-43-59(44-46-64)65-47-49-68-75-56-66(48-54-89(75)107-90(68)55-65)103-80-38-17-13-31-71(80)91-84(103)50-52-86-93(91)73-33-15-19-40-82(73)105(86)97-99-76(61-25-7-2-8-26-61)57-77(100-97)62-27-9-3-10-28-62/h1-58H
InChIKeyBLMNOQOJFZHBAC-UHFFFAOYSA-N
XLogP26.39
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001411.73
LogP ≤ 526.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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 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

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 160758433
9-(3-dibenzothiophen-4-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-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 140937295
9-(8-phenyldibenzothiophen-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 139556197
14-dibenzothiophen-2-yl-5-[4-[3-(14-dibenzothiophen-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-5-phenylphenyl]phenyl]-9-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170116120
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)-14-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;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)-14-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 160639812
5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 130417437
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
9-dibenzothiophen-2-yl-4-[2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556153
5-[3-(4-dibenzothiophen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154538
9-dibenzothiophen-4-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556070
2-dibenzothiophen-2-yl-9-[3-[2-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 134236738

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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 163457204) is 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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 is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccc7sc8cc(-c9ccc(-c%10cc(-c%11ccccc%11)nc(-n%11c%12ccccc%12c%12c%13c%14ccccc%14n(-c%14cccc%15c%14sc%14c(-c%16ccccc%16)cccc%14%15)c%13ccc%12%11)n%10)cc9)ccc8c7c6)c5ccc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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?
The InChIKey is BLMNOQOJFZHBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58N8S2/c1-5-23-60(24-6-1)67-35-21-36-69-70-37-22-42-88(96(70)108-95(67)69)104-81-39-18-14-32-72(81)92-85(104)51-53-87-94(92)74-34-16-20-41-83(74)106(87)98-101-78(63-29-11-4-12-30-63)58-79(102-98)64-45-43-59(44-46-64)65-47-49-68-75-56-66(48-54-89(75)107-90(68)55-65)103-80-38-17-13-31-71(80)91-84(103)50-52-86-93(91)73-33-15-19-40-82(73)105(86)97-99-76(61-25-7-2-8-26-61)57-77(100-97)62-27-9-3-10-28-62/h1-58H.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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?
9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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 has a molecular weight of 1411.73 g/mol, XLogP of 26.39, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-14-[7-[4-[6-phenyl-2-[14-(6-phenyldibenzothiophen-4-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]pyrimidin-4-yl]phenyl]dibenzothiophen-2-yl]-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 is sourced from PubChem (CID 163457204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).