6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole

C35H26N4S — CID 118228411

IUPAC6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole
SMILESC1=CC(c2cc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)CCS6)c3)c2)=CCN1
InChIInChI=1S/C35H26N4S/c1-2-7-32-29(6-1)34-33(9-8-25-14-19-40-35(25)34)39(32)28-5-3-4-26(20-28)31-22-27(23-10-15-36-16-11-23)21-30(38-31)24-12-17-37-18-13-24/h1-13,15,17-18,20-22,36H,14,16,19H2
InChIKeyKQEAWRVWMCODBC-UHFFFAOYSA-N
MW534.69 g/mol
LogP8.06
Rot. Bonds4

About 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole

6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole (PubChem CID 118228411) has the molecular formula C35H26N4S and a molecular weight of 534.69 g/mol. Its IUPAC name is 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole
PubChem CID118228411
Molecular FormulaC35H26N4S
Molecular Weight534.69 g/mol
Exact Mass534.19
IUPAC Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole
SMILESC1=CC(c2cc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)CCS6)c3)c2)=CCN1
InChIInChI=1S/C35H26N4S/c1-2-7-32-29(6-1)34-33(9-8-25-14-19-40-35(25)34)39(32)28-5-3-4-26(20-28)31-22-27(23-10-15-36-16-11-23)21-30(38-31)24-12-17-37-18-13-24/h1-13,15,17-18,20-22,36H,14,16,19H2
InChIKeyKQEAWRVWMCODBC-UHFFFAOYSA-N
XLogP8.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]furo[3,2-c]carbazole
CID 118227963
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-ylpyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118227981
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-[4-(1,2-dihydropyridin-4-yl)phenyl]pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118228596
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228574
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
6-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228260
3-[9-[4-(1,2-dihydropyridin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 145299536
2-phenyl-6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 123823501
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]thieno[3,2-c]carbazole
CID 118229357
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-6-pyridin-4-yl-1,2,3,4-tetrahydropyrimidin-2-yl]phenyl]-2,3-diphenylthieno[3,2-c]carbazole
CID 118228086
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]furo[3,2-c]carbazole
CID 118229450
2-phenyl-6-[4-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]thieno[3,2-c]carbazole
CID 118228059

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole?
The IUPAC name of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole (CID 118228411) is 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole.
What is the SMILES notation for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole?
The canonical SMILES for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole is C1=CC(c2cc(-c3ccncc3)nc(-c3cccc(-n4c5ccccc5c5c6c(ccc54)CCS6)c3)c2)=CCN1.
What is the InChIKey of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole?
The InChIKey is KQEAWRVWMCODBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4S/c1-2-7-32-29(6-1)34-33(9-8-25-14-19-40-35(25)34)39(32)28-5-3-4-26(20-28)31-22-27(23-10-15-36-16-11-23)21-30(38-31)24-12-17-37-18-13-24/h1-13,15,17-18,20-22,36H,14,16,19H2.
What are the key properties of 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole?
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole has a molecular weight of 534.69 g/mol, XLogP of 8.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole is sourced from PubChem (CID 118228411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).