10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline

C40H27NO — CID 146301055

IUPAC10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc6ccc7cccnc7c56)cccc34)cc21
InChIInChI=1S/C40H27NO/c1-40(2)34-17-4-3-11-28(34)29-21-20-26(23-35(29)40)27-12-6-15-32-33-16-7-14-31(39(33)42-38(27)32)30-13-5-9-24-18-19-25-10-8-22-41-37(25)36(24)30/h3-23H,1-2H3
InChIKeyIPCMASMLBPIAIU-UHFFFAOYSA-N
MW537.66 g/mol
LogP10.93
Rot. Bonds2

About 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline

10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline (PubChem CID 146301055) has the molecular formula C40H27NO and a molecular weight of 537.66 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline.

Molecular Properties

Compound Name10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
PubChem CID146301055
Molecular FormulaC40H27NO
Molecular Weight537.66 g/mol
Exact Mass537.21
IUPAC Name10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc6ccc7cccnc7c56)cccc34)cc21
InChIInChI=1S/C40H27NO/c1-40(2)34-17-4-3-11-28(34)29-21-20-26(23-35(29)40)27-12-6-15-32-33-16-7-14-31(39(33)42-38(27)32)30-13-5-9-24-18-19-25-10-8-22-41-37(25)36(24)30/h3-23H,1-2H3
InChIKeyIPCMASMLBPIAIU-UHFFFAOYSA-N
XLogP10.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[4-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]pyridine
CID 171760889
10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939858
N-[4-[10-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167403354
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
N-[3-(4-benzo[h]quinolin-10-ylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 122422700
9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342054
8-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-6-yl)phenyl]quinoline
CID 129254585
10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphtho[1,2-b][1]benzofuran
CID 122426066
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-phenylfluoren-2-amine
CID 130466783
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
5-(6-benzo[h]quinolin-10-yl-9-phenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 118003381
4-(9,9-dimethylfluoren-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319124

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline?
The IUPAC name of 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline (CID 146301055) is 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline.
What is the SMILES notation for 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline?
The canonical SMILES for 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc6ccc7cccnc7c56)cccc34)cc21.
What is the InChIKey of 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline?
The InChIKey is IPCMASMLBPIAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO/c1-40(2)34-17-4-3-11-28(34)29-21-20-26(23-35(29)40)27-12-6-15-32-33-16-7-14-31(39(33)42-38(27)32)30-13-5-9-24-18-19-25-10-8-22-41-37(25)36(24)30/h3-23H,1-2H3.
What are the key properties of 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline?
10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline has a molecular weight of 537.66 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]benzo[h]quinoline is sourced from PubChem (CID 146301055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).