6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene

C37H25N — CID 143250611

IUPAC6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene
SMILESC1=Nc2c(cccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)C2=CC1C2
InChIInChI=1S/C37H25N/c1-3-10-25(11-4-1)35-31-14-7-8-15-32(31)36(26-12-5-2-6-13-26)34-22-27(18-19-33(34)35)29-16-9-17-30-28-20-24(21-28)23-38-37(29)30/h1-20,22-24H,21H2
InChIKeyLRHMTBKUPAIKKS-UHFFFAOYSA-N
MW483.61 g/mol
LogP10.11
Rot. Bonds3

About 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene

6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene (PubChem CID 143250611) has the molecular formula C37H25N and a molecular weight of 483.61 g/mol. Its IUPAC name is 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene.

Molecular Properties

Compound Name6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene
PubChem CID143250611
Molecular FormulaC37H25N
Molecular Weight483.61 g/mol
Exact Mass483.20
IUPAC Name6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene
SMILESC1=Nc2c(cccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)C2=CC1C2
InChIInChI=1S/C37H25N/c1-3-10-25(11-4-1)35-31-14-7-8-15-32(31)36(26-12-5-2-6-13-26)34-22-27(18-19-33(34)35)29-16-9-17-30-28-20-24(21-28)23-38-37(29)30/h1-20,22-24H,21H2
InChIKeyLRHMTBKUPAIKKS-UHFFFAOYSA-N
XLogP10.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 510.11
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

2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2-(4,5-diphenylnaphthalen-1-yl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 123360409
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
2-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-9,10-diphenylanthracene
CID 123147447
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188

Frequently Asked Questions

What is the IUPAC name of 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene?
The IUPAC name of 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene (CID 143250611) is 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene.
What is the SMILES notation for 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene?
The canonical SMILES for 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene is C1=Nc2c(cccc2-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)C2=CC1C2.
What is the InChIKey of 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene?
The InChIKey is LRHMTBKUPAIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N/c1-3-10-25(11-4-1)35-31-14-7-8-15-32(31)36(26-12-5-2-6-13-26)34-22-27(18-19-33(34)35)29-16-9-17-30-28-20-24(21-28)23-38-37(29)30/h1-20,22-24H,21H2.
What are the key properties of 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene?
6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene has a molecular weight of 483.61 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,10-diphenylanthracen-2-yl)-8-azatricyclo[8.1.1.02,7]dodeca-1(11),2,4,6,8-pentaene is sourced from PubChem (CID 143250611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).