1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole

C44H29NO — CID 126620720

IUPAC1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-10-30(11-4-1)32-18-20-34(21-19-32)36-26-27-41-39(28-36)40(35-24-22-33(23-25-35)31-12-5-2-6-13-31)29-45(41)42-16-9-15-38-37-14-7-8-17-43(37)46-44(38)42/h1-29H
InChIKeyLYZCLDPFQYVCGH-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.20
Rot. Bonds5

About 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole

1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole (PubChem CID 126620720) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole.

Molecular Properties

Compound Name1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole
PubChem CID126620720
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-3-10-30(11-4-1)32-18-20-34(21-19-32)36-26-27-41-39(28-36)40(35-24-22-33(23-25-35)31-12-5-2-6-13-31)29-45(41)42-16-9-15-38-37-14-7-8-17-43(37)46-44(38)42/h1-29H
InChIKeyLYZCLDPFQYVCGH-UHFFFAOYSA-N
XLogP12.20
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[3,5-di(dibenzofuran-2-yl)phenyl]-3,5-diphenylindole
CID 158939023
3,5-diphenyl-1-[4-(6-phenyldibenzofuran-4-yl)phenyl]indole;3,5-diphenyl-1-[4-(8-phenyldibenzofuran-2-yl)phenyl]indole;1-[4-(6-phenyldibenzofuran-4-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 162223458
1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
1-dibenzofuran-4-yl-2-phenyl-3,5-bis(4-phenylphenyl)indole;1-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole;1-[4-(8-phenyldibenzothiophen-2-yl)phenyl]-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 158391384
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole?
The IUPAC name of 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole (CID 126620720) is 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole.
What is the SMILES notation for 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole?
The canonical SMILES for 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole is c1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole?
The InChIKey is LYZCLDPFQYVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-3-10-30(11-4-1)32-18-20-34(21-19-32)36-26-27-41-39(28-36)40(35-24-22-33(23-25-35)31-12-5-2-6-13-31)29-45(41)42-16-9-15-38-37-14-7-8-17-43(37)46-44(38)42/h1-29H.
What are the key properties of 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole?
1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole has a molecular weight of 587.72 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-4-yl-3,5-bis(4-phenylphenyl)indole is sourced from PubChem (CID 126620720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).