5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole

C51H33N3O — CID 137433710

IUPAC5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4oc5ccccc5c4c3)nc21
InChIInChI=1S/C51H33N3O/c1-51(2)42-28-35(34-20-19-30-11-3-4-12-31(30)25-34)21-23-39(42)47-48(51)52-49(36-22-24-46-41(27-36)38-16-8-10-18-45(38)55-46)53-50(47)54-43-17-9-7-15-37(43)40-26-32-13-5-6-14-33(32)29-44(40)54/h3-29H,1-2H3
InChIKeyFEFBJIMXZRTOAG-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.42
Rot. Bonds3

About 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole

5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole (PubChem CID 137433710) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
PubChem CID137433710
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4oc5ccccc5c4c3)nc21
InChIInChI=1S/C51H33N3O/c1-51(2)42-28-35(34-20-19-30-11-3-4-12-31(30)25-34)21-23-39(42)47-48(51)52-49(36-22-24-46-41(27-36)38-16-8-10-18-45(38)55-46)53-50(47)54-43-17-9-7-15-37(43)40-26-32-13-5-6-14-33(32)29-44(40)54/h3-29H,1-2H3
InChIKeyFEFBJIMXZRTOAG-UHFFFAOYSA-N
XLogP13.42
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-benzo[b]carbazol-5-yl-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl)-2-[(Z)-prop-1-enyl]aniline
CID 146181811
14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130334281
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 58510584
7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631014
5-[7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 146491412
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
CID 157150398
5-[4-[3,6-bis(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632822
5-[3-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[b]carbazole
CID 163771493
5-(2-dibenzofuran-2-ylquinazolin-4-yl)benzo[b]carbazole;5-(2-dibenzothiophen-2-ylquinazolin-4-yl)benzo[b]carbazole;5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 161048106
2-(14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 158811091

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
The IUPAC name of 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole (CID 137433710) is 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
The canonical SMILES for 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2c(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4oc5ccccc5c4c3)nc21.
What is the InChIKey of 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
The InChIKey is FEFBJIMXZRTOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-51(2)42-28-35(34-20-19-30-11-3-4-12-31(30)25-34)21-23-39(42)47-48(51)52-49(36-22-24-46-41(27-36)38-16-8-10-18-45(38)55-46)53-50(47)54-43-17-9-7-15-37(43)40-26-32-13-5-6-14-33(32)29-44(40)54/h3-29H,1-2H3.
What are the key properties of 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole?
5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole has a molecular weight of 703.85 g/mol, XLogP of 13.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzofuran-2-yl-9,9-dimethyl-7-naphthalen-2-ylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole is sourced from PubChem (CID 137433710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).