1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole

C48H33NO2 — CID 163749704

IUPAC1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole
SMILESC/C=c1\c(=C(/C)c2ccc3[nH]c4c(-c5cccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)c5)cccc4c3c2)oc2ccccc12
InChIInChI=1S/C48H33NO2/c1-3-36-38-15-4-7-20-45(38)51-48(36)29(2)30-22-24-43-42(27-30)41-18-10-17-37(47(41)49-43)35-14-9-13-33(26-35)31-11-8-12-32(25-31)34-21-23-40-39-16-5-6-19-44(39)50-46(40)28-34/h3-28,49H,1-2H3/b36-3-,48-29-
InChIKeyLOYSJVSJUIFWOE-DBLWNVRPSA-N
MW655.80 g/mol
LogP11.99
Rot. Bonds4

About 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole

1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole (PubChem CID 163749704) has the molecular formula C48H33NO2 and a molecular weight of 655.80 g/mol. Its IUPAC name is 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole.

Molecular Properties

Compound Name1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole
PubChem CID163749704
Molecular FormulaC48H33NO2
Molecular Weight655.80 g/mol
Exact Mass655.25
IUPAC Name1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole
SMILESC/C=c1\c(=C(/C)c2ccc3[nH]c4c(-c5cccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)c5)cccc4c3c2)oc2ccccc12
InChIInChI=1S/C48H33NO2/c1-3-36-38-15-4-7-20-45(38)51-48(36)29(2)30-22-24-43-42(27-30)41-18-10-17-37(47(41)49-43)35-14-9-13-33(26-35)31-11-8-12-32(25-31)34-21-23-40-39-16-5-6-19-44(39)50-46(40)28-34/h3-28,49H,1-2H3/b36-3-,48-29-
InChIKeyLOYSJVSJUIFWOE-DBLWNVRPSA-N
XLogP11.99
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 511.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-9-methyl-9,10-dihydro-5H-benzo[b]carbazole
CID 142568244
7-(9H-carbazol-1-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 154697177
6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole
CID 142568681
6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen
CID 142568052
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole?
The IUPAC name of 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole (CID 163749704) is 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole.
What is the SMILES notation for 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole?
The canonical SMILES for 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole is C/C=c1\c(=C(/C)c2ccc3[nH]c4c(-c5cccc(-c6cccc(-c7ccc8c(c7)oc7ccccc78)c6)c5)cccc4c3c2)oc2ccccc12.
What is the InChIKey of 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole?
The InChIKey is LOYSJVSJUIFWOE-DBLWNVRPSA-N. The full InChI is InChI=1S/C48H33NO2/c1-3-36-38-15-4-7-20-45(38)51-48(36)29(2)30-22-24-43-42(27-30)41-18-10-17-37(47(41)49-43)35-14-9-13-33(26-35)31-11-8-12-32(25-31)34-21-23-40-39-16-5-6-19-44(39)50-46(40)28-34/h3-28,49H,1-2H3/b36-3-,48-29-.
What are the key properties of 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole?
1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole has a molecular weight of 655.80 g/mol, XLogP of 11.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-[(1Z)-1-[(3Z)-3-ethylidene-1-benzofuran-2-ylidene]ethyl]-9H-carbazole is sourced from PubChem (CID 163749704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).