6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole

C49H31N3S — CID 145306641

IUPAC6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4ccc(-c5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5)cc4s3)cc2)cc1
InChIInChI=1S/C49H31N3S/c1-3-11-32(12-4-1)33-19-21-35(22-20-33)49-50-43-28-25-36(29-48(43)53-49)34-23-26-38(27-24-34)52-45-18-10-8-16-40(45)42-30-41-39-15-7-9-17-44(39)51(46(41)31-47(42)52)37-13-5-2-6-14-37/h1-31H
InChIKeyBREFRKWZZTZGHD-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.49
Rot. Bonds5

About 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole

6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole (PubChem CID 145306641) has the molecular formula C49H31N3S and a molecular weight of 693.88 g/mol. Its IUPAC name is 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole
PubChem CID145306641
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc4ccc(-c5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5)cc4s3)cc2)cc1
InChIInChI=1S/C49H31N3S/c1-3-11-32(12-4-1)33-19-21-35(22-20-33)49-50-43-28-25-36(29-48(43)53-49)34-23-26-38(27-24-34)52-45-18-10-8-16-40(45)42-30-41-39-15-7-9-17-44(39)51(46(41)31-47(42)52)37-13-5-2-6-14-37/h1-31H
InChIKeyBREFRKWZZTZGHD-UHFFFAOYSA-N
XLogP13.49
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.88
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]thiazolo[4,5-b]acridin-10-one
CID 90201692
2-phenyl-6-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]-1,3-benzothiazole
CID 129122301
2-[2-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-1,3-benzothiazole;2-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3-phenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole
CID 160868466
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453490
9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 126585577
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
2-[3-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[4-[11-(3,5-diphenylphenyl)indolo[3,2-b]carbazol-5-yl]phenyl]-1,3-benzothiazole;2-[2-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole;2-[3-[5-(3-phenylphenyl)indolo[3,2-b]carbazol-11-yl]phenyl]-1,3-benzothiazole
CID 160697130
2-[3-[3-(1,3-benzothiazol-2-yl)carbazol-9-yl]phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 168832578
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole?
The IUPAC name of 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole (CID 145306641) is 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole?
The canonical SMILES for 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole is c1ccc(-c2ccc(-c3nc4ccc(-c5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5)cc4s3)cc2)cc1.
What is the InChIKey of 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole?
The InChIKey is BREFRKWZZTZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-3-11-32(12-4-1)33-19-21-35(22-20-33)49-50-43-28-25-36(29-48(43)53-49)34-23-26-38(27-24-34)52-45-18-10-8-16-40(45)42-30-41-39-15-7-9-17-44(39)51(46(41)31-47(42)52)37-13-5-2-6-14-37/h1-31H.
What are the key properties of 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole?
6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole has a molecular weight of 693.88 g/mol, XLogP of 13.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 145306641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).