5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline

C29H25N — CID 59183666

IUPAC5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C)c3)c3cnccc23)cc1C
InChIInChI=1S/C29H25N/c1-18-9-11-22(15-20(18)3)28-24-7-5-6-8-25(24)29(27-17-30-14-13-26(27)28)23-12-10-19(2)21(4)16-23/h5-17H,1-4H3
InChIKeyAVPSISHCJUTVSK-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.96
Rot. Bonds2

About 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline

5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline (PubChem CID 59183666) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
PubChem CID59183666
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C)c3)c3cnccc23)cc1C
InChIInChI=1S/C29H25N/c1-18-9-11-22(15-20(18)3)28-24-7-5-6-8-25(24)29(27-17-30-14-13-26(27)28)23-12-10-19(2)21(4)16-23/h5-17H,1-4H3
InChIKeyAVPSISHCJUTVSK-UHFFFAOYSA-N
XLogP7.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.96
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

5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
5,10-bis(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)benzo[g]isoquinoline
CID 59182877
5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
CID 59183810
5-naphthalen-2-yl-10-(4-propan-2-ylphenyl)benzo[g]isoquinoline
CID 59183792
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
CID 59183141
5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
CID 59183616
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
3-methyl-4-[4-[10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 122642605

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline?
The IUPAC name of 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline (CID 59183666) is 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C)c3)c3cnccc23)cc1C.
What is the InChIKey of 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline?
The InChIKey is AVPSISHCJUTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-18-9-11-22(15-20(18)3)28-24-7-5-6-8-25(24)29(27-17-30-14-13-26(27)28)23-12-10-19(2)21(4)16-23/h5-17H,1-4H3.
What are the key properties of 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline?
5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline has a molecular weight of 387.53 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline is sourced from PubChem (CID 59183666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).