6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole

C42H29N3O — CID 118228107

IUPAC6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole
SMILESC1=CNCC(c2cc(-c3cccnc3)cc(-n3c4ccccc4c4c5oc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)=C1
InChIInChI=1S/C42H29N3O/c1-3-11-28(12-4-1)39-36-19-20-38-40(42(36)46-41(39)29-13-5-2-6-14-29)35-17-7-8-18-37(35)45(38)34-24-32(30-15-9-21-43-26-30)23-33(25-34)31-16-10-22-44-27-31/h1-26,44H,27H2
InChIKeyDPKMEMQIUQFVBA-UHFFFAOYSA-N
MW591.71 g/mol
LogP10.43
Rot. Bonds5

About 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole

6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole (PubChem CID 118228107) has the molecular formula C42H29N3O and a molecular weight of 591.71 g/mol. Its IUPAC name is 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole.

Molecular Properties

Compound Name6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole
PubChem CID118228107
Molecular FormulaC42H29N3O
Molecular Weight591.71 g/mol
Exact Mass591.23
IUPAC Name6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole
SMILESC1=CNCC(c2cc(-c3cccnc3)cc(-n3c4ccccc4c4c5oc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)=C1
InChIInChI=1S/C42H29N3O/c1-3-11-28(12-4-1)39-36-19-20-38-40(42(36)46-41(39)29-13-5-2-6-14-29)35-17-7-8-18-37(35)45(38)34-24-32(30-15-9-21-43-26-30)23-33(25-34)31-16-10-22-44-27-31/h1-26,44H,27H2
InChIKeyDPKMEMQIUQFVBA-UHFFFAOYSA-N
XLogP10.43
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 510.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diphenyl-6-[3-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]furo[3,2-c]carbazole
CID 140680258
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
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
2,3-diphenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]furo[3,2-c]carbazole
CID 118229659
6-[3-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole;6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 162158013
2,3-diphenyl-6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]furo[3,2-c]carbazole
CID 118229660
2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744039
6-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228142
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065
4-[3-(4-cyanophenyl)-5-[24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]benzonitrile
CID 121404153
2,3-diphenyl-6-[4-[(4S,6S)-4-pyridin-4-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazabicyclo[3.1.0]hex-2-en-2-yl]phenyl]furo[3,2-c]carbazole
CID 118228195
6-[4-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)-2,6-diphenylcyclohexa-1,3-dien-1-yl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 164992326

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The IUPAC name of 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole (CID 118228107) is 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole.
What is the SMILES notation for 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The canonical SMILES for 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole is C1=CNCC(c2cc(-c3cccnc3)cc(-n3c4ccccc4c4c5oc(-c6ccccc6)c(-c6ccccc6)c5ccc43)c2)=C1.
What is the InChIKey of 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole?
The InChIKey is DPKMEMQIUQFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3O/c1-3-11-28(12-4-1)39-36-19-20-38-40(42(36)46-41(39)29-13-5-2-6-14-29)35-17-7-8-18-37(35)45(38)34-24-32(30-15-9-21-43-26-30)23-33(25-34)31-16-10-22-44-27-31/h1-26,44H,27H2.
What are the key properties of 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole?
6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole has a molecular weight of 591.71 g/mol, XLogP of 10.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,2-dihydropyridin-3-yl)-5-pyridin-3-ylphenyl]-2,3-diphenylfuro[3,2-c]carbazole is sourced from PubChem (CID 118228107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).