14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C54H32N2 — CID 122466510

IUPAC14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6cc7ccccc7cc56)c5ccccc45)cc3)c3c(n2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C54H32N2/c1-2-13-36(14-3-1)54-55-52(51-45-25-10-17-33-18-11-26-46(49(33)45)53(51)56-54)35-29-27-34(28-30-35)48-40-20-6-8-22-42(40)50(43-23-9-7-21-41(43)48)44-24-12-19-39-31-37-15-4-5-16-38(37)32-47(39)44/h1-32H
InChIKeyMEFLNZGYUGVEPW-UHFFFAOYSA-N
MW708.86 g/mol
LogP14.56
Rot. Bonds4

About 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122466510) has the molecular formula C54H32N2 and a molecular weight of 708.86 g/mol. Its IUPAC name is 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122466510
Molecular FormulaC54H32N2
Molecular Weight708.86 g/mol
Exact Mass708.26
IUPAC Name14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6cc7ccccc7cc56)c5ccccc45)cc3)c3c(n2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C54H32N2/c1-2-13-36(14-3-1)54-55-52(51-45-25-10-17-33-18-11-26-46(49(33)45)53(51)56-54)35-29-27-34(28-30-35)48-40-20-6-8-22-42(40)50(43-23-9-7-21-41(43)48)44-24-12-19-39-31-37-15-4-5-16-38(37)32-47(39)44/h1-32H
InChIKeyMEFLNZGYUGVEPW-UHFFFAOYSA-N
XLogP14.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

12-[3-(10-anthracen-2-ylanthracen-9-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466508
12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466506
12-[4-[3,8-bis(2-phenylphenyl)pyren-1-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466527
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524491
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
9,10-di(anthracen-1-yl)anthracene
CID 58645093
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
4-(3,8-diphenylpyren-1-yl)-12,14-diphenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466494
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
9-(4-naphthalen-1-ylphenyl)-10-(8-phenylnaphthalen-1-yl)anthracene
CID 123676833
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9-phenanthren-4-yl-10-[6-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 58194550

Frequently Asked Questions

What is the IUPAC name of 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122466510) is 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3ccc(-c4c5ccccc5c(-c5cccc6cc7ccccc7cc56)c5ccccc45)cc3)c3c(n2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is MEFLNZGYUGVEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2/c1-2-13-36(14-3-1)54-55-52(51-45-25-10-17-33-18-11-26-46(49(33)45)53(51)56-54)35-29-27-34(28-30-35)48-40-20-6-8-22-42(40)50(43-23-9-7-21-41(43)48)44-24-12-19-39-31-37-15-4-5-16-38(37)32-47(39)44/h1-32H.
What are the key properties of 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 708.86 g/mol, XLogP of 14.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122466510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).