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

C40H29N5O — CID 118228596

IUPAC6-[3-[4-(1,2-dihydropyridin-4-yl)-6-[4-(1,2-dihydropyridin-4-yl)phenyl]pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESC1=CC(c2ccc(-c3cc(C4=CCNC=C4)nc(-c4cccc(-n5c6ccccc6c6c7occc7ccc65)c4)n3)cc2)=CCN1
InChIInChI=1S/C40H29N5O/c1-2-7-36-33(6-1)38-37(13-12-30-18-23-46-39(30)38)45(36)32-5-3-4-31(24-32)40-43-34(25-35(44-40)29-16-21-42-22-17-29)28-10-8-26(9-11-28)27-14-19-41-20-15-27/h1-19,21,23-25,41-42H,20,22H2
InChIKeyNGRICDHXVBQTGM-UHFFFAOYSA-N
MW595.71 g/mol
LogP8.65
Rot. Bonds5

About 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

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 (PubChem CID 118228596) has the molecular formula C40H29N5O and a molecular weight of 595.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-[4-(1,2-dihydropyridin-4-yl)phenyl]pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
PubChem CID118228596
Molecular FormulaC40H29N5O
Molecular Weight595.71 g/mol
Exact Mass595.24
IUPAC Name6-[3-[4-(1,2-dihydropyridin-4-yl)-6-[4-(1,2-dihydropyridin-4-yl)phenyl]pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
SMILESC1=CC(c2ccc(-c3cc(C4=CCNC=C4)nc(-c4cccc(-n5c6ccccc6c6c7occc7ccc65)c4)n3)cc2)=CCN1
InChIInChI=1S/C40H29N5O/c1-2-7-36-33(6-1)38-37(13-12-30-18-23-46-39(30)38)45(36)32-5-3-4-31(24-32)40-43-34(25-35(44-40)29-16-21-42-22-17-29)28-10-8-26(9-11-28)27-14-19-41-20-15-27/h1-19,21,23-25,41-42H,20,22H2
InChIKeyNGRICDHXVBQTGM-UHFFFAOYSA-N
XLogP8.65
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 58.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-pyridin-4-yl-2-pyridinyl]phenyl]furo[3,2-c]carbazole
CID 118227963
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229522
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]furo[3,2-c]carbazole
CID 118229450
6-[4-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229485
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
6-(2,6-diphenyl-4-pyridinyl)furo[3,2-c]carbazole
CID 123472648
6-[3-[6-pyridin-4-yl-4-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]furo[3,2-c]carbazole;6-[2-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole;6-[4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]furo[3,2-c]carbazole
CID 157354749
6-[3-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-2-pyridinyl]phenyl]-2,3-dihydrothieno[3,2-c]carbazole
CID 118228411
6-(3,5-diphenylphenyl)furo[3,2-c]carbazole;6-phenylfuro[3,2-c]carbazole;6-(3-phenylphenyl)furo[3,2-c]carbazole;6-(4-phenylphenyl)furo[3,2-c]carbazole
CID 159669938
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158955537
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[3,2-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 160615868

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2ccc(-c3cc(C4=CCNC=C4)nc(-c4cccc(-n5c6ccccc6c6c7occc7ccc65)c4)n3)cc2)=CCN1.
What is the InChIKey of 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?
The InChIKey is NGRICDHXVBQTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N5O/c1-2-7-36-33(6-1)38-37(13-12-30-18-23-46-39(30)38)45(36)32-5-3-4-31(24-32)40-43-34(25-35(44-40)29-16-21-42-22-17-29)28-10-8-26(9-11-28)27-14-19-41-20-15-27/h1-19,21,23-25,41-42H,20,22H2.
What are the key properties of 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?
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 has a molecular weight of 595.71 g/mol, XLogP of 8.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118228596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).