1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole

C46H32N2O — CID 167157231

IUPAC1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole
SMILESCc1c(-c2c(C)n(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c2ccccc2n1-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H32N2O/c1-29-45(38-16-5-8-19-41(38)47(29)33-24-22-32(23-25-33)36-18-11-13-31-12-3-4-14-35(31)36)46-30(2)48(42-20-9-6-17-39(42)46)34-26-27-44-40(28-34)37-15-7-10-21-43(37)49-44/h3-28H,1-2H3
InChIKeyBURDWIKLEBSHJB-UHFFFAOYSA-N
MW628.78 g/mol
LogP12.58
Rot. Bonds4

About 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole

1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole (PubChem CID 167157231) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole
PubChem CID167157231
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole
SMILESCc1c(-c2c(C)n(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c2ccccc2n1-c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H32N2O/c1-29-45(38-16-5-8-19-41(38)47(29)33-24-22-32(23-25-33)36-18-11-13-31-12-3-4-14-35(31)36)46-30(2)48(42-20-9-6-17-39(42)46)34-26-27-44-40(28-34)37-15-7-10-21-43(37)49-44/h3-28H,1-2H3
InChIKeyBURDWIKLEBSHJB-UHFFFAOYSA-N
XLogP12.58
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
CID 129207881
3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 159777371
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole?
The IUPAC name of 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole (CID 167157231) is 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole.
What is the SMILES notation for 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole?
The canonical SMILES for 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole is Cc1c(-c2c(C)n(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c2ccccc2n1-c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole?
The InChIKey is BURDWIKLEBSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-29-45(38-16-5-8-19-41(38)47(29)33-24-22-32(23-25-33)36-18-11-13-31-12-3-4-14-35(31)36)46-30(2)48(42-20-9-6-17-39(42)46)34-26-27-44-40(28-34)37-15-7-10-21-43(37)49-44/h3-28H,1-2H3.
What are the key properties of 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole?
1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole has a molecular weight of 628.78 g/mol, XLogP of 12.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-2-methyl-3-[2-methyl-1-(4-naphthalen-1-ylphenyl)indol-3-yl]indole is sourced from PubChem (CID 167157231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).