2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine

C36H22N2O — CID 170268428

IUPAC2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(C2c3ccccc3-c3ccc4c5ccccc5n(-c5ccc6c(n5)oc5ccccc56)c4c32)cc1
InChIInChI=1S/C36H22N2O/c1-2-10-22(11-3-1)33-26-15-5-4-12-23(26)27-18-19-28-24-13-6-8-16-30(24)38(35(28)34(27)33)32-21-20-29-25-14-7-9-17-31(25)39-36(29)37-32/h1-21,33H
InChIKeyCFTSPJYDGUUXBD-UHFFFAOYSA-N
MW498.59 g/mol
LogP9.24
Rot. Bonds2

About 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine

2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 170268428) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID170268428
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(C2c3ccccc3-c3ccc4c5ccccc5n(-c5ccc6c(n5)oc5ccccc56)c4c32)cc1
InChIInChI=1S/C36H22N2O/c1-2-10-22(11-3-1)33-26-15-5-4-12-23(26)27-18-19-28-24-13-6-8-16-30(24)38(35(28)34(27)33)32-21-20-29-25-14-7-9-17-31(25)39-36(29)37-32/h1-21,33H
InChIKeyCFTSPJYDGUUXBD-UHFFFAOYSA-N
XLogP9.24
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(7-dibenzofuran-3-yldibenzofuran-3-yl)-12-phenyl-12H-indeno[2,1-a]carbazole
CID 170285824
(12S)-11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenyl-12H-indeno[2,1-a]carbazole
CID 166670048
16,29-diphenyl-16,20,26-triaza-1-boratridecacyclo[23.19.1.12,6.126,40.07,19.09,17.010,15.021,45.027,39.028,36.030,35.020,47.044,46]heptatetraconta-2(47),3,5,7(19),8,10,12,14,17,21(45),22,24,27(39),28(36),30,32,34,37,40,42,44(46)-henicosaene
CID 174121288
9,14-diphenyl-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;5,7-diphenyl-7H-indeno[2,1-b]carbazole;bis(5,12-diphenylindolo[3,2-c]carbazole);11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 158407162
12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole
CID 118041112
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole
CID 122469745
5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 58038425
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenyl-12H-indeno[2,1-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-yl-9H-fluoren-3-yl)-12-phenyl-12H-indeno[1,2-c]carbazole
CID 158516176
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533

Frequently Asked Questions

What is the IUPAC name of 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine (CID 170268428) is 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc(C2c3ccccc3-c3ccc4c5ccccc5n(-c5ccc6c(n5)oc5ccccc56)c4c32)cc1.
What is the InChIKey of 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is CFTSPJYDGUUXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-2-10-22(11-3-1)33-26-15-5-4-12-23(26)27-18-19-28-24-13-6-8-16-30(24)38(35(28)34(27)33)32-21-20-29-25-14-7-9-17-31(25)39-36(29)37-32/h1-21,33H.
What are the key properties of 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine?
2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 498.59 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-phenyl-12H-indeno[2,1-a]carbazol-11-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 170268428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).