10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline

C48H33N — CID 59196564

IUPAC10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4c5ccccc5cc5ccncc45)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C48H33N/c1-48(2)42-21-11-10-19-38(42)45-39(20-12-22-43(45)48)44-35-17-8-9-18-36(35)47(37-24-23-31(28-40(37)44)30-13-4-3-5-14-30)46-34-16-7-6-15-32(34)27-33-25-26-49-29-41(33)46/h3-29H,1-2H3
InChIKeyKNALAQVZBKRLIW-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.00
Rot. Bonds3

About 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline

10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline (PubChem CID 59196564) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline.

Molecular Properties

Compound Name10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline
PubChem CID59196564
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4c5ccccc5cc5ccncc45)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C48H33N/c1-48(2)42-21-11-10-19-38(42)45-39(20-12-22-43(45)48)44-35-17-8-9-18-36(35)47(37-24-23-31(28-40(37)44)30-13-4-3-5-14-30)46-34-16-7-6-15-32(34)27-33-25-26-49-29-41(33)46/h3-29H,1-2H3
InChIKeyKNALAQVZBKRLIW-UHFFFAOYSA-N
XLogP13.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]pyridine
CID 59195576
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-phenylbenzo[g]isoquinoline
CID 59183244
5-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-yl-7-(4-phenylphenyl)benzo[g]isoquinoline
CID 59183787
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-1,3-benzothiazole
CID 59196632
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158036486

Frequently Asked Questions

What is the IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline?
The IUPAC name of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline (CID 59196564) is 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline.
What is the SMILES notation for 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline?
The canonical SMILES for 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4c5ccccc5cc5ccncc45)c4ccc(-c5ccccc5)cc34)cccc21.
What is the InChIKey of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline?
The InChIKey is KNALAQVZBKRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-48(2)42-21-11-10-19-38(42)45-39(20-12-22-43(45)48)44-35-17-8-9-18-36(35)47(37-24-23-31(28-40(37)44)30-13-4-3-5-14-30)46-34-16-7-6-15-32(34)27-33-25-26-49-29-41(33)46/h3-29H,1-2H3.
What are the key properties of 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline?
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline has a molecular weight of 623.80 g/mol, XLogP of 13.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzo[g]isoquinoline is sourced from PubChem (CID 59196564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).