3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine

C41H25N3S — CID 59413762

IUPAC3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc3sc4cnc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C41H25N3S/c1-2-10-26(11-3-1)27-18-21-39-33(22-27)34-24-41(42-25-40(34)45-39)44-37-17-9-6-14-31(37)32-23-28(19-20-38(32)44)43-35-15-7-4-12-29(35)30-13-5-8-16-36(30)43/h1-25H
InChIKeyYAVQECDARUTCJT-UHFFFAOYSA-N
MW591.74 g/mol
LogP11.31
Rot. Bonds3

About 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine

3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 59413762) has the molecular formula C41H25N3S and a molecular weight of 591.74 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
PubChem CID59413762
Molecular FormulaC41H25N3S
Molecular Weight591.74 g/mol
Exact Mass591.18
IUPAC Name3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2ccc3sc4cnc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1
InChIInChI=1S/C41H25N3S/c1-2-10-26(11-3-1)27-18-21-39-33(22-27)34-24-41(42-25-40(34)45-39)44-37-17-9-6-14-31(37)32-23-28(19-20-38(32)44)43-35-15-7-4-12-29(35)30-13-5-8-16-36(30)43/h1-25H
InChIKeyYAVQECDARUTCJT-UHFFFAOYSA-N
XLogP11.31
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.74
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
[3-[9-([1]benzothiolo[2,3-c]pyridin-3-yl)carbazol-3-yl]phenyl]-triphenylsilane
CID 156664882
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine (CID 59413762) is 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2ccc3sc4cnc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is YAVQECDARUTCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3S/c1-2-10-26(11-3-1)27-18-21-39-33(22-27)34-24-41(42-25-40(34)45-39)44-37-17-9-6-14-31(37)32-23-28(19-20-38(32)44)43-35-15-7-4-12-29(35)30-13-5-8-16-36(30)43/h1-25H.
What are the key properties of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine?
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 591.74 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 59413762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).