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

C80H45N5S3 — CID 126630744

IUPAC11-[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
SMILESc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c3)c3cc(-c4ccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cc4)ccc3n2)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1
InChIInChI=1S/C80H45N5S3/c1-7-25-67-53(19-1)59-43-76-62(56-22-4-10-28-73(56)86-76)40-70(59)83(67)50-34-31-46(32-35-50)47-33-36-66-65(39-47)79(48-15-13-17-51(37-48)84-68-26-8-2-20-54(68)60-44-77-63(41-71(60)84)57-23-5-11-29-74(57)87-77)82-80(81-66)49-16-14-18-52(38-49)85-69-27-9-3-21-55(69)61-45-78-64(42-72(61)85)58-24-6-12-30-75(58)88-78/h1-45H
InChIKeyQJKDFQVCWFMITQ-UHFFFAOYSA-N
MW1172.48 g/mol
LogP23.03
Rot. Bonds6

About 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

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 (PubChem CID 126630744) has the molecular formula C80H45N5S3 and a molecular weight of 1172.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID126630744
Molecular FormulaC80H45N5S3
Molecular Weight1172.48 g/mol
Exact Mass1171.28
IUPAC Name11-[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
SMILESc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c3)c3cc(-c4ccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cc4)ccc3n2)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1
InChIInChI=1S/C80H45N5S3/c1-7-25-67-53(19-1)59-43-76-62(56-22-4-10-28-73(56)86-76)40-70(59)83(67)50-34-31-46(32-35-50)47-33-36-66-65(39-47)79(48-15-13-17-51(37-48)84-68-26-8-2-20-54(68)60-44-77-63(41-71(60)84)57-23-5-11-29-74(57)87-77)82-80(81-66)49-16-14-18-52(38-49)85-69-27-9-3-21-55(69)61-45-78-64(42-72(61)85)58-24-6-12-30-75(58)88-78/h1-45H
InChIKeyQJKDFQVCWFMITQ-UHFFFAOYSA-N
XLogP23.03
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001172.48
LogP ≤ 523.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159010
11-(2,4-diphenylquinazolin-6-yl)-[1]benzothiolo[3,2-b]carbazole
CID 147747131
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783
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
11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole;11-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 157341243
11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 171053255
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
11-[3-[4-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630945
7-[4-[4-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126630835
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6sc7ccccc7c6cc54)c3)c3cc(-c4ccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)cc4)ccc3n2)cc(-n2c3ccccc3c3cc4sc5ccccc5c4cc32)c1.
What is the InChIKey of 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?
The InChIKey is QJKDFQVCWFMITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H45N5S3/c1-7-25-67-53(19-1)59-43-76-62(56-22-4-10-28-73(56)86-76)40-70(59)83(67)50-34-31-46(32-35-50)47-33-36-66-65(39-47)79(48-15-13-17-51(37-48)84-68-26-8-2-20-54(68)60-44-77-63(41-71(60)84)57-23-5-11-29-74(57)87-77)82-80(81-66)49-16-14-18-52(38-49)85-69-27-9-3-21-55(69)61-45-78-64(42-72(61)85)58-24-6-12-30-75(58)88-78/h1-45H.
What are the key properties of 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?
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 has a molecular weight of 1172.48 g/mol, XLogP of 23.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126630744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).