9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole

C37H25NO2 — CID 170284080

IUPAC9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole
SMILESCC1C=Cc2c(oc3ccccc23)C1c1cccc2oc3cccc(-n4c5ccccc5c5ccccc54)c3c12
InChIInChI=1S/C37H25NO2/c1-22-20-21-26-25-12-4-7-17-31(25)40-37(26)34(22)27-13-8-18-32-35(27)36-30(16-9-19-33(36)39-32)38-28-14-5-2-10-23(28)24-11-3-6-15-29(24)38/h2-22,34H,1H3
InChIKeyNCDFRQZYZTZETA-UHFFFAOYSA-N
MW515.61 g/mol
LogP10.22
Rot. Bonds2

About 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole

9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole (PubChem CID 170284080) has the molecular formula C37H25NO2 and a molecular weight of 515.61 g/mol. Its IUPAC name is 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole
PubChem CID170284080
Molecular FormulaC37H25NO2
Molecular Weight515.61 g/mol
Exact Mass515.19
IUPAC Name9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole
SMILESCC1C=Cc2c(oc3ccccc23)C1c1cccc2oc3cccc(-n4c5ccccc5c5ccccc54)c3c12
InChIInChI=1S/C37H25NO2/c1-22-20-21-26-25-12-4-7-17-31(25)40-37(26)34(22)27-13-8-18-32-35(27)36-30(16-9-19-33(36)39-32)38-28-14-5-2-10-23(28)24-11-3-6-15-29(24)38/h2-22,34H,1H3
InChIKeyNCDFRQZYZTZETA-UHFFFAOYSA-N
XLogP10.22
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
5-[4-[4-(3-tert-butyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-5a,12b-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163889279
9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
CID 169060972
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289

Frequently Asked Questions

What is the IUPAC name of 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole (CID 170284080) is 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole is CC1C=Cc2c(oc3ccccc23)C1c1cccc2oc3cccc(-n4c5ccccc5c5ccccc54)c3c12.
What is the InChIKey of 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole?
The InChIKey is NCDFRQZYZTZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NO2/c1-22-20-21-26-25-12-4-7-17-31(25)40-37(26)34(22)27-13-8-18-32-35(27)36-30(16-9-19-33(36)39-32)38-28-14-5-2-10-23(28)24-11-3-6-15-29(24)38/h2-22,34H,1H3.
What are the key properties of 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole?
9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole has a molecular weight of 515.61 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 170284080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).