12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole

C30H17N3O — CID 122427693

IUPAC12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1cnc2c(c1)cnc1cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c12
InChIInChI=1S/C30H17N3O/c1-3-11-24-19(8-1)21-14-15-22-20-9-2-4-13-26(20)34-30(22)29(21)33(24)25-12-5-10-23-27(25)28-18(17-32-23)7-6-16-31-28/h1-17H
InChIKeyPGIBKSGURUFENO-UHFFFAOYSA-N
MW435.49 g/mol
LogP7.78
Rot. Bonds1

About 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole

12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole (PubChem CID 122427693) has the molecular formula C30H17N3O and a molecular weight of 435.49 g/mol. Its IUPAC name is 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole
PubChem CID122427693
Molecular FormulaC30H17N3O
Molecular Weight435.49 g/mol
Exact Mass435.14
IUPAC Name12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole
SMILESc1cnc2c(c1)cnc1cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c12
InChIInChI=1S/C30H17N3O/c1-3-11-24-19(8-1)21-14-15-22-20-9-2-4-13-26(20)34-30(22)29(21)33(24)25-12-5-10-23-27(25)28-18(17-32-23)7-6-16-31-28/h1-17H
InChIKeyPGIBKSGURUFENO-UHFFFAOYSA-N
XLogP7.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-(9-pyrimidin-2-ylcarbazol-4-yl)-[1]benzofuro[2,3-a]carbazole
CID 118502599
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
12-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
12-[2-[1-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226627
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
12-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-a]carbazole
CID 134427142
12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311
3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 118530374
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433
bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene);bis(12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-5,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene)
CID 159304129

Frequently Asked Questions

What is the IUPAC name of 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole (CID 122427693) is 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole is c1cnc2c(c1)cnc1cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c12.
What is the InChIKey of 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is PGIBKSGURUFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17N3O/c1-3-11-24-19(8-1)21-14-15-22-20-9-2-4-13-26(20)34-30(22)29(21)33(24)25-12-5-10-23-27(25)28-18(17-32-23)7-6-16-31-28/h1-17H.
What are the key properties of 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole?
12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 435.49 g/mol, XLogP of 7.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-benzo[h][1,6]naphthyridin-10-yl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 122427693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).