5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole

C54H34N2 — CID 145313284

IUPAC5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole
SMILESCc1c(-n2c3ccccc3c3cc4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c32)nc(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C54H34N2/c1-33-39-17-6-11-24-47(39)52(38-27-26-34-14-2-3-15-35(34)30-38)55-54(33)56-50-25-13-12-23-46(50)49-31-36-16-4-5-18-40(36)51(53(49)56)37-28-29-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)32-37/h2-32H,1H3
InChIKeyDPTJUZPOKVCGIF-UHFFFAOYSA-N
MW710.88 g/mol
LogP14.74
Rot. Bonds3

About 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole

5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole (PubChem CID 145313284) has the molecular formula C54H34N2 and a molecular weight of 710.88 g/mol. Its IUPAC name is 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole
PubChem CID145313284
Molecular FormulaC54H34N2
Molecular Weight710.88 g/mol
Exact Mass710.27
IUPAC Name5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole
SMILESCc1c(-n2c3ccccc3c3cc4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c32)nc(-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C54H34N2/c1-33-39-17-6-11-24-47(39)52(38-27-26-34-14-2-3-15-35(34)30-38)55-54(33)56-50-25-13-12-23-46(50)49-31-36-16-4-5-18-40(36)51(53(49)56)37-28-29-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)32-37/h2-32H,1H3
InChIKeyDPTJUZPOKVCGIF-UHFFFAOYSA-N
XLogP14.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 514.74
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

5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
10-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552566
5-(4-phenylquinolin-2-yl)-6-triphenylen-2-ylbenzo[b]carbazole
CID 134552720
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
CID 134552473
5-(4-triphenylen-2-ylphthalazin-1-yl)benzo[b]carbazole
CID 139362303
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
21-naphthalen-2-yl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 164757239
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
2-(9-naphthalen-2-ylcarbazol-2-yl)-5-(3-naphthalen-2-ylquinoxalin-2-yl)benzo[b]carbazole
CID 155114289
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
The IUPAC name of 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole (CID 145313284) is 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole is Cc1c(-n2c3ccccc3c3cc4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c32)nc(-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
The InChIKey is DPTJUZPOKVCGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2/c1-33-39-17-6-11-24-47(39)52(38-27-26-34-14-2-3-15-35(34)30-38)55-54(33)56-50-25-13-12-23-46(50)49-31-36-16-4-5-18-40(36)51(53(49)56)37-28-29-45-43-21-8-7-19-41(43)42-20-9-10-22-44(42)48(45)32-37/h2-32H,1H3.
What are the key properties of 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole?
5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole has a molecular weight of 710.88 g/mol, XLogP of 14.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1-naphthalen-2-ylisoquinolin-3-yl)-6-triphenylen-2-ylbenzo[b]carbazole is sourced from PubChem (CID 145313284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).