5,10-di(triphenylen-2-yl)benzo[g]isoquinoline

C49H29N — CID 59183594

IUPAC5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3cnccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c2c1
InChIInChI=1S/C49H29N/c1-3-15-36-32(11-1)34-13-5-7-17-38(34)45-27-30(21-23-40(36)45)48-42-19-9-10-20-43(42)49(47-29-50-26-25-44(47)48)31-22-24-41-37-16-4-2-12-33(37)35-14-6-8-18-39(35)46(41)28-31/h1-29H
InChIKeyARCFZOVSCBWRQE-UHFFFAOYSA-N
MW631.78 g/mol
LogP13.64
Rot. Bonds2

About 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline

5,10-di(triphenylen-2-yl)benzo[g]isoquinoline (PubChem CID 59183594) has the molecular formula C49H29N and a molecular weight of 631.78 g/mol. Its IUPAC name is 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
PubChem CID59183594
Molecular FormulaC49H29N
Molecular Weight631.78 g/mol
Exact Mass631.23
IUPAC Name5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
SMILESc1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3cnccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c2c1
InChIInChI=1S/C49H29N/c1-3-15-36-32(11-1)34-13-5-7-17-38(34)45-27-30(21-23-40(36)45)48-42-19-9-10-20-43(42)49(47-29-50-26-25-44(47)48)31-22-24-41-37-16-4-2-12-33(37)35-14-6-8-18-39(35)46(41)28-31/h1-29H
InChIKeyARCFZOVSCBWRQE-UHFFFAOYSA-N
XLogP13.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183593
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
CID 59183666
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-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
5,7-dinaphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline
CID 59184100
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
CID 59183141
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
CID 59183616
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268

Frequently Asked Questions

What is the IUPAC name of 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline?
The IUPAC name of 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline (CID 59183594) is 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline.
What is the SMILES notation for 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline?
The canonical SMILES for 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline is c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)c3cnccc3c(-c3ccc4c5ccccc5c5ccccc5c4c3)c2c1.
What is the InChIKey of 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline?
The InChIKey is ARCFZOVSCBWRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N/c1-3-15-36-32(11-1)34-13-5-7-17-38(34)45-27-30(21-23-40(36)45)48-42-19-9-10-20-43(42)49(47-29-50-26-25-44(47)48)31-22-24-41-37-16-4-2-12-33(37)35-14-6-8-18-39(35)46(41)28-31/h1-29H.
What are the key properties of 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline?
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline has a molecular weight of 631.78 g/mol, XLogP of 13.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-di(triphenylen-2-yl)benzo[g]isoquinoline is sourced from PubChem (CID 59183594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).