4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole

C41H29NO — CID 142568244

IUPAC4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole
SMILESCC1C=Cc2cc3[nH]c4c(-c5cccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)c5)cccc4c3cc2C1
InChIInChI=1S/C41H29NO/c1-25-15-16-29-23-38-37(22-32(29)19-25)36-13-6-12-33(41(36)42-38)31-10-5-9-28(21-31)26-7-4-8-27(20-26)30-17-18-35-34-11-2-3-14-39(34)43-40(35)24-30/h2-18,20-25,42H,19H2,1H3
InChIKeySOSXTHDJLWLLPZ-UHFFFAOYSA-N
MW551.69 g/mol
LogP11.43
Rot. Bonds3

About 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole

4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole (PubChem CID 142568244) has the molecular formula C41H29NO and a molecular weight of 551.69 g/mol. Its IUPAC name is 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole.

Molecular Properties

Compound Name4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole
PubChem CID142568244
Molecular FormulaC41H29NO
Molecular Weight551.69 g/mol
Exact Mass551.22
IUPAC Name4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole
SMILESCC1C=Cc2cc3[nH]c4c(-c5cccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)c5)cccc4c3cc2C1
InChIInChI=1S/C41H29NO/c1-25-15-16-29-23-38-37(22-32(29)19-25)36-13-6-12-33(41(36)42-38)31-10-5-9-28(21-31)26-7-4-8-27(20-26)30-17-18-35-34-11-2-3-14-39(34)43-40(35)24-30/h2-18,20-25,42H,19H2,1H3
InChIKeySOSXTHDJLWLLPZ-UHFFFAOYSA-N
XLogP11.43
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 511.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole
CID 142568680
1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole
CID 163749704
N-(4-dibenzofuran-3-ylphenyl)-5-(3-methyl-3,4-dihydrophenanthren-9-yl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167235425
2-(4-chlorophenyl)-4-(8-methyl-7,8-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 174305803
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533
2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170130251
3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174001218

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole?
The IUPAC name of 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole (CID 142568244) is 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole.
What is the SMILES notation for 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole?
The canonical SMILES for 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole is CC1C=Cc2cc3[nH]c4c(-c5cccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)c5)cccc4c3cc2C1.
What is the InChIKey of 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole?
The InChIKey is SOSXTHDJLWLLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29NO/c1-25-15-16-29-23-38-37(22-32(29)19-25)36-13-6-12-33(41(36)42-38)31-10-5-9-28(21-31)26-7-4-8-27(20-26)30-17-18-35-34-11-2-3-14-39(34)43-40(35)24-30/h2-18,20-25,42H,19H2,1H3.
What are the key properties of 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole?
4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole has a molecular weight of 551.69 g/mol, XLogP of 11.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole is sourced from PubChem (CID 142568244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).