3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole

C98H57N5S3 — CID 126632050

IUPAC3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc4)c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C98H57N5S3/c1-7-22-85-71(16-1)77-51-62(65-36-47-94-80(54-65)74-19-4-10-25-91(74)104-94)33-44-88(77)101(85)68-39-28-58(29-40-68)97-83-57-61(60-14-13-15-70(50-60)103-87-24-9-3-18-73(87)79-53-64(35-46-90(79)103)67-38-49-96-82(56-67)76-21-6-12-27-93(76)106-96)32-43-84(83)99-98(100-97)59-30-41-69(42-31-59)102-86-23-8-2-17-72(86)78-52-63(34-45-89(78)102)66-37-48-95-81(55-66)75-20-5-11-26-92(75)105-95/h1-57H
InChIKeyBNWLKOWBUVQZDU-UHFFFAOYSA-N
MW1400.77 g/mol
LogP28.03
Rot. Bonds9

About 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole

3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole (PubChem CID 126632050) has the molecular formula C98H57N5S3 and a molecular weight of 1400.77 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
PubChem CID126632050
Molecular FormulaC98H57N5S3
Molecular Weight1400.77 g/mol
Exact Mass1399.38
IUPAC Name3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc4)c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C98H57N5S3/c1-7-22-85-71(16-1)77-51-62(65-36-47-94-80(54-65)74-19-4-10-25-91(74)104-94)33-44-88(77)101(85)68-39-28-58(29-40-68)97-83-57-61(60-14-13-15-70(50-60)103-87-24-9-3-18-73(87)79-53-64(35-46-90(79)103)67-38-49-96-82(56-67)76-21-6-12-27-93(76)106-96)32-43-84(83)99-98(100-97)59-30-41-69(42-31-59)102-86-23-8-2-17-72(86)78-52-63(34-45-89(78)102)66-37-48-95-81(55-66)75-20-5-11-26-92(75)105-95/h1-57H
InChIKeyBNWLKOWBUVQZDU-UHFFFAOYSA-N
XLogP28.03
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001400.77
LogP ≤ 528.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159010
9-[3-[2,6-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[4-[4-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]carbazole
CID 160894019
11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 126630744
3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159089
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
CID 147747131
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
CID 134219481
12-[3-[6-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 126630940

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole (CID 126632050) is 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole is c1cc(-c2ccc3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)cc4)c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5sc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole?
The InChIKey is BNWLKOWBUVQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H57N5S3/c1-7-22-85-71(16-1)77-51-62(65-36-47-94-80(54-65)74-19-4-10-25-91(74)104-94)33-44-88(77)101(85)68-39-28-58(29-40-68)97-83-57-61(60-14-13-15-70(50-60)103-87-24-9-3-18-73(87)79-53-64(35-46-90(79)103)67-38-49-96-82(56-67)76-21-6-12-27-93(76)106-96)32-43-84(83)99-98(100-97)59-30-41-69(42-31-59)102-86-23-8-2-17-72(86)78-52-63(34-45-89(78)102)66-37-48-95-81(55-66)75-20-5-11-26-92(75)105-95/h1-57H.
What are the key properties of 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole?
3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole has a molecular weight of 1400.77 g/mol, XLogP of 28.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole is sourced from PubChem (CID 126632050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).