6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole

C44H26N6S — CID 163425156

IUPAC6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5cc6c(c7ccccc7n6-c6ccccc6)c6nsnc56)cccc43)nc3ccccc23)cc1
InChIInChI=1S/C44H26N6S/c1-3-14-27(15-4-1)41-30-18-7-10-22-34(30)45-44(46-41)50-36-24-12-8-19-31(36)39-29(21-13-25-37(39)50)33-26-38-40(43-42(33)47-51-48-43)32-20-9-11-23-35(32)49(38)28-16-5-2-6-17-28/h1-26H
InChIKeyALVVIRMKDQXLAS-UHFFFAOYSA-N
MW670.80 g/mol
LogP11.16
Rot. Bonds4

About 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole

6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole (PubChem CID 163425156) has the molecular formula C44H26N6S and a molecular weight of 670.80 g/mol. Its IUPAC name is 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole.

Molecular Properties

Compound Name6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole
PubChem CID163425156
Molecular FormulaC44H26N6S
Molecular Weight670.80 g/mol
Exact Mass670.19
IUPAC Name6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5cc6c(c7ccccc7n6-c6ccccc6)c6nsnc56)cccc43)nc3ccccc23)cc1
InChIInChI=1S/C44H26N6S/c1-3-14-27(15-4-1)41-30-18-7-10-22-34(30)45-44(46-41)50-36-24-12-8-19-31(36)39-29(21-13-25-37(39)50)33-26-38-40(43-42(33)47-51-48-43)32-20-9-11-23-35(32)49(38)28-16-5-2-6-17-28/h1-26H
InChIKeyALVVIRMKDQXLAS-UHFFFAOYSA-N
XLogP11.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
CID 129221822
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603554
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
7-(4-phenylquinazolin-2-yl)-5-(5-phenylthiophen-2-yl)benzo[c]carbazole
CID 122692462
21-phenyl-17-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448367
14-phenyl-9-[4-(3-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165864
27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.016,21.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14,16,18,20,22(26),23-tridecaene
CID 164840623
9,15-diphenyl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999013
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole?
The IUPAC name of 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole (CID 163425156) is 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole.
What is the SMILES notation for 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole?
The canonical SMILES for 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c(-c5cc6c(c7ccccc7n6-c6ccccc6)c6nsnc56)cccc43)nc3ccccc23)cc1.
What is the InChIKey of 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole?
The InChIKey is ALVVIRMKDQXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6S/c1-3-14-27(15-4-1)41-30-18-7-10-22-34(30)45-44(46-41)50-36-24-12-8-19-31(36)39-29(21-13-25-37(39)50)33-26-38-40(43-42(33)47-51-48-43)32-20-9-11-23-35(32)49(38)28-16-5-2-6-17-28/h1-26H.
What are the key properties of 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole?
6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole has a molecular weight of 670.80 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]-[1,2,5]thiadiazolo[3,4-c]carbazole is sourced from PubChem (CID 163425156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).