10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline

C34H25N — CID 59183637

IUPAC10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccncc34)c21
InChIInChI=1S/C34H25N/c1-34(2)30-18-9-8-13-23(30)27-16-10-17-28(33(27)34)32-25-15-7-6-14-24(25)31(22-11-4-3-5-12-22)26-19-20-35-21-29(26)32/h3-21H,1-2H3
InChIKeyACCOZSUAPVIDAS-UHFFFAOYSA-N
MW447.58 g/mol
LogP9.03
Rot. Bonds2

About 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline

10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline (PubChem CID 59183637) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
PubChem CID59183637
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccncc34)c21
InChIInChI=1S/C34H25N/c1-34(2)30-18-9-8-13-23(30)27-16-10-17-28(33(27)34)32-25-15-7-6-14-24(25)31(22-11-4-3-5-12-22)26-19-20-35-21-29(26)32/h3-21H,1-2H3
InChIKeyACCOZSUAPVIDAS-UHFFFAOYSA-N
XLogP9.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 59.03
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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Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline?
The IUPAC name of 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline (CID 59183637) is 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline.
What is the SMILES notation for 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline?
The canonical SMILES for 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline is CC1(C)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccncc34)c21.
What is the InChIKey of 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline?
The InChIKey is ACCOZSUAPVIDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-34(2)30-18-9-8-13-23(30)27-16-10-17-28(33(27)34)32-25-15-7-6-14-24(25)31(22-11-4-3-5-12-22)26-19-20-35-21-29(26)32/h3-21H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline?
10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline has a molecular weight of 447.58 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline is sourced from PubChem (CID 59183637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).