9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole

C36H24N2O — CID 174271917

IUPAC9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
SMILESC1=CC2Oc3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3C2C=C1
InChIInChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-32-28(22-23)26-12-3-7-16-31(26)38(32)33-17-9-19-35-36(33)27-13-4-8-18-34(27)39-35/h1-22,27,34H
InChIKeyOTJKNSJZPPBLOQ-UHFFFAOYSA-N
MW500.60 g/mol
LogP8.85
Rot. Bonds2

About 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole

9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole (PubChem CID 174271917) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
PubChem CID174271917
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole
SMILESC1=CC2Oc3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3C2C=C1
InChIInChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-32-28(22-23)26-12-3-7-16-31(26)38(32)33-17-9-19-35-36(33)27-13-4-8-18-34(27)39-35/h1-22,27,34H
InChIKeyOTJKNSJZPPBLOQ-UHFFFAOYSA-N
XLogP8.85
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
CID 163746165
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-[3-[3-[4-(5a,9a-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2-naphthalen-1-ylcarbazole
CID 135143609
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
CID 177285260
9-(4-chloro-5a,9a-dihydrodibenzofuran-2-yl)carbazole
CID 156521090
3-carbazol-9-yl-9-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole
CID 176831685
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170126005
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734

Frequently Asked Questions

What is the IUPAC name of 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole (CID 174271917) is 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole is C1=CC2Oc3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c3C2C=C1.
What is the InChIKey of 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
The InChIKey is OTJKNSJZPPBLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-5-14-29-24(10-1)25-11-2-6-15-30(25)37(29)23-20-21-32-28(22-23)26-12-3-7-16-31(26)38(32)33-17-9-19-35-36(33)27-13-4-8-18-34(27)39-35/h1-22,27,34H.
What are the key properties of 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole?
9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole has a molecular weight of 500.60 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5a,9a-dihydrodibenzofuran-1-yl)-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 174271917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).