2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole

C44H26N4O — CID 118530341

IUPAC2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole
SMILESc1cnc2cc(-n3c4ccccc4c4ccc(-c5cc6c(cc5-n5c7ccccc7c7ccccc75)oc5ccccc56)cc43)cnc2c1
InChIInChI=1S/C44H26N4O/c1-5-15-38-31(12-1)32-20-19-27(22-41(32)47(38)28-23-37-36(46-26-28)14-9-21-45-37)34-24-35-33-13-4-8-18-43(33)49-44(35)25-42(34)48-39-16-6-2-10-29(39)30-11-3-7-17-40(30)48/h1-26H
InChIKeyBWTSEPYDEZIHSP-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.39
Rot. Bonds3

About 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole

2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole (PubChem CID 118530341) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole
PubChem CID118530341
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole
SMILESc1cnc2cc(-n3c4ccccc4c4ccc(-c5cc6c(cc5-n5c7ccccc7c7ccccc75)oc5ccccc56)cc43)cnc2c1
InChIInChI=1S/C44H26N4O/c1-5-15-38-31(12-1)32-20-19-27(22-41(32)47(38)28-23-37-36(46-26-28)14-9-21-45-37)34-24-35-33-13-4-8-18-43(33)49-44(35)25-42(34)48-39-16-6-2-10-29(39)30-11-3-7-17-40(30)48/h1-26H
InChIKeyBWTSEPYDEZIHSP-UHFFFAOYSA-N
XLogP11.39
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(3-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 118530326
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 90348743
5-[2-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347317
9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
CID 126632420
3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
CID 71278022
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
2-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 163662232
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-(3-carbazol-9-yldibenzofuran-4-yl)-9-quinolin-5-ylcarbazole
CID 118530374

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole?
The IUPAC name of 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole (CID 118530341) is 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole.
What is the SMILES notation for 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole?
The canonical SMILES for 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole is c1cnc2cc(-n3c4ccccc4c4ccc(-c5cc6c(cc5-n5c7ccccc7c7ccccc75)oc5ccccc56)cc43)cnc2c1.
What is the InChIKey of 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole?
The InChIKey is BWTSEPYDEZIHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-5-15-38-31(12-1)32-20-19-27(22-41(32)47(38)28-23-37-36(46-26-28)14-9-21-45-37)34-24-35-33-13-4-8-18-43(33)49-44(35)25-42(34)48-39-16-6-2-10-29(39)30-11-3-7-17-40(30)48/h1-26H.
What are the key properties of 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole?
2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole has a molecular weight of 626.72 g/mol, XLogP of 11.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-yldibenzofuran-2-yl)-9-(1,5-naphthyridin-3-yl)carbazole is sourced from PubChem (CID 118530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).