3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole

C24H17NO — CID 66828393

IUPAC3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
SMILESC1=CC2Oc3c(-c4ccc5[nH]c6ccccc6c5c4)cccc3C2C=C1
InChIInChI=1S/C24H17NO/c1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-14,18,23,25H
InChIKeyNFVBACQWSUSBRB-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.96
Rot. Bonds1

About 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole

3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole (PubChem CID 66828393) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
PubChem CID66828393
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
SMILESC1=CC2Oc3c(-c4ccc5[nH]c6ccccc6c5c4)cccc3C2C=C1
InChIInChI=1S/C24H17NO/c1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-14,18,23,25H
InChIKeyNFVBACQWSUSBRB-UHFFFAOYSA-N
XLogP5.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

11,12b-dihydro-4aH-[1]benzofuro[3,2-b]carbazole
CID 138564668
6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
CID 155426393
3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
CID 88574118
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
CID 174280336
10-[3-(9H-carbazol-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
CID 163464218
3-[6-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-4-yl]-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-4,9-dihydro-3H-carbazole
CID 123166999
3-[9-(2-phenylethyl)-9H-fluoren-3-yl]-9H-carbazole
CID 134515903
2-(5a,9a-dihydrodibenzofuran-4-yl)-4-(8-chlorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 146541885
5-(4,6-diphenylquinazolin-2-yl)-7b,11a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 138633692
1-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 59307184

Frequently Asked Questions

What is the IUPAC name of 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole?
The IUPAC name of 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole (CID 66828393) is 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole.
What is the SMILES notation for 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole?
The canonical SMILES for 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole is C1=CC2Oc3c(-c4ccc5[nH]c6ccccc6c5c4)cccc3C2C=C1.
What is the InChIKey of 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole?
The InChIKey is NFVBACQWSUSBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-3-10-21-17(6-1)20-14-15(12-13-22(20)25-21)16-8-5-9-19-18-7-2-4-11-23(18)26-24(16)19/h1-14,18,23,25H.
What are the key properties of 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole?
3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole has a molecular weight of 335.41 g/mol, XLogP of 5.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole is sourced from PubChem (CID 66828393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).