3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

C47H30N4O — CID 70875250

IUPAC3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESC1=CC2C(C=C1n1c3ccccc3c3ccccc31)c1ccccc1N2c1nc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12
InChIInChI=1S/C47H30N4O/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50/h1-28,36,43H
InChIKeyDMFJYXYOUDVTND-UHFFFAOYSA-N
MW666.78 g/mol
LogP11.90
Rot. Bonds3

About 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 70875250) has the molecular formula C47H30N4O and a molecular weight of 666.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID70875250
Molecular FormulaC47H30N4O
Molecular Weight666.78 g/mol
Exact Mass666.24
IUPAC Name3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESC1=CC2C(C=C1n1c3ccccc3c3ccccc31)c1ccccc1N2c1nc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12
InChIInChI=1S/C47H30N4O/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50/h1-28,36,43H
InChIKeyDMFJYXYOUDVTND-UHFFFAOYSA-N
XLogP11.90
TPSA39.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-(8-bromodibenzofuran-2-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 70812572
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
3-dibenzofuran-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole
CID 170137084
9-phenyl-3-[16-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl]carbazole
CID 144670243
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(2-phenylcarbazol-9-yl)-4a,9a-dihydrocarbazol-3-yl]-2-phenylcarbazole
CID 123923868
1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 155029347
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
9-[16-(3-phenylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),5,7,11,14(19),15,17-octaen-7-yl]carbazole
CID 71059017
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170277898
11-[9-(4,4a-dihydrodibenzofuran-3-yl)-4a,9a-dihydrocarbazol-3-yl]-15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 89472169

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (CID 70875250) is 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is C1=CC2C(C=C1n1c3ccccc3c3ccccc31)c1ccccc1N2c1nc(-n2c3ccccc3c3ccccc32)cc2c1oc1ccccc12.
What is the InChIKey of 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is DMFJYXYOUDVTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O/c1-7-19-38-30(13-1)31-14-2-8-20-39(31)49(38)29-25-26-43-36(27-29)34-17-5-11-23-42(34)51(43)47-46-37(35-18-6-12-24-44(35)52-46)28-45(48-47)50-40-21-9-3-15-32(40)33-16-4-10-22-41(33)50/h1-28,36,43H.
What are the key properties of 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 666.78 g/mol, XLogP of 11.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 70875250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).