9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole

C98H55NS3 — CID 135219107

IUPAC9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc(-c9cccc%10c9sc9ccc(-c%11c%12ccccc%12c(-c%12ccc%13sc%14c%15ccccc%15c%15ccccc%15c%14c%13c%12)c%12ccccc%11%12)cc9%10)ccc8c8ccccc8c7c6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C98H55NS3/c1-2-21-61(22-3-1)99-85-40-19-18-26-67(85)80-52-57(42-47-86(80)99)90-70-29-9-13-33-74(70)93(75-34-14-10-30-71(75)90)60-45-50-89-84(55-60)95-69-28-8-5-24-64(69)66-46-41-56(51-82(66)98(95)102-89)62-38-20-39-79-81-53-58(43-48-87(81)100-96(62)79)91-72-31-11-15-35-76(72)92(77-36-16-12-32-73(77)91)59-44-49-88-83(54-59)94-68-27-7-4-23-63(68)65-25-6-17-37-78(65)97(94)101-88/h1-55H
InChIKeyJAFJYYCGPWSJSX-UHFFFAOYSA-N
MW1342.73 g/mol
LogP29.45
Rot. Bonds6

About 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole

9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole (PubChem CID 135219107) has the molecular formula C98H55NS3 and a molecular weight of 1342.73 g/mol. Its IUPAC name is 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole
PubChem CID135219107
Molecular FormulaC98H55NS3
Molecular Weight1342.73 g/mol
Exact Mass1341.35
IUPAC Name9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc(-c9cccc%10c9sc9ccc(-c%11c%12ccccc%12c(-c%12ccc%13sc%14c%15ccccc%15c%15ccccc%15c%14c%13c%12)c%12ccccc%11%12)cc9%10)ccc8c8ccccc8c7c6c5)c5ccccc45)ccc32)cc1
InChIInChI=1S/C98H55NS3/c1-2-21-61(22-3-1)99-85-40-19-18-26-67(85)80-52-57(42-47-86(80)99)90-70-29-9-13-33-74(70)93(75-34-14-10-30-71(75)90)60-45-50-89-84(55-60)95-69-28-8-5-24-64(69)66-46-41-56(51-82(66)98(95)102-89)62-38-20-39-79-81-53-58(43-48-87(81)100-96(62)79)91-72-31-11-15-35-76(72)92(77-36-16-12-32-73(77)91)59-44-49-88-83(54-59)94-68-27-7-4-23-63(68)65-25-6-17-37-78(65)97(94)101-88/h1-55H
InChIKeyJAFJYYCGPWSJSX-UHFFFAOYSA-N
XLogP29.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001342.73
LogP ≤ 529.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole 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-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]-9-[4-[18-(10-triphenylen-2-ylanthracen-9-yl)-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-6-yl]phenyl]carbazole
CID 135219015
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3-(2,8-diphenyldibenzothiophen-4-yl)carbazole
CID 87156398
3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156348
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole (CID 135219107) is 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6sc7c8cc(-c9cccc%10c9sc9ccc(-c%11c%12ccccc%12c(-c%12ccc%13sc%14c%15ccccc%15c%15ccccc%15c%14c%13c%12)c%12ccccc%11%12)cc9%10)ccc8c8ccccc8c7c6c5)c5ccccc45)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole?
The InChIKey is JAFJYYCGPWSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H55NS3/c1-2-21-61(22-3-1)99-85-40-19-18-26-67(85)80-52-57(42-47-86(80)99)90-70-29-9-13-33-74(70)93(75-34-14-10-30-71(75)90)60-45-50-89-84(55-60)95-69-28-8-5-24-64(69)66-46-41-56(51-82(66)98(95)102-89)62-38-20-39-79-81-53-58(43-48-87(81)100-96(62)79)91-72-31-11-15-35-76(72)92(77-36-16-12-32-73(77)91)59-44-49-88-83(54-59)94-68-27-7-4-23-63(68)65-25-6-17-37-78(65)97(94)101-88/h1-55H.
What are the key properties of 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole?
9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole has a molecular weight of 1342.73 g/mol, XLogP of 29.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[10-[4-[8-[10-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]dibenzothiophen-4-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-17-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 135219107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).