7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene

C82H56N2 — CID 58131803

IUPAC7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
SMILESCc1c(C)n(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12
InChIInChI=1S/C82H56N2/c1-49-51(3)83(81-65-35-19-15-31-61(65)77(55-25-7-5-8-26-55)62-32-16-20-36-66(62)81)75-47-73-71(45-69(49)75)79(59-41-39-53-23-11-13-29-57(53)43-59)74-48-76-70(46-72(74)80(73)60-42-40-54-24-12-14-30-58(54)44-60)50(2)52(4)84(76)82-67-37-21-17-33-63(67)78(56-27-9-6-10-28-56)64-34-18-22-38-68(64)82/h5-48H,1-4H3
InChIKeyRIYHSTRTWYAYLG-UHFFFAOYSA-N
MW1069.36 g/mol
LogP22.70
Rot. Bonds6

About 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene

7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene (PubChem CID 58131803) has the molecular formula C82H56N2 and a molecular weight of 1069.36 g/mol. Its IUPAC name is 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene.

Molecular Properties

Compound Name7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
PubChem CID58131803
Molecular FormulaC82H56N2
Molecular Weight1069.36 g/mol
Exact Mass1068.44
IUPAC Name7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
SMILESCc1c(C)n(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12
InChIInChI=1S/C82H56N2/c1-49-51(3)83(81-65-35-19-15-31-61(65)77(55-25-7-5-8-26-55)62-32-16-20-36-66(62)81)75-47-73-71(45-69(49)75)79(59-41-39-53-23-11-13-29-57(53)43-59)74-48-76-70(46-72(74)80(73)60-42-40-54-24-12-14-30-58(54)44-60)50(2)52(4)84(76)82-67-37-21-17-33-63(67)78(56-27-9-6-10-28-56)64-34-18-22-38-68(64)82/h5-48H,1-4H3
InChIKeyRIYHSTRTWYAYLG-UHFFFAOYSA-N
XLogP22.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.36
LogP ≤ 522.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene with MolForge

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Related Compounds

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9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
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12-(10-naphthalen-2-ylanthracen-9-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
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CID 160550908
6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 159674094
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436

Frequently Asked Questions

What is the IUPAC name of 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The IUPAC name of 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene (CID 58131803) is 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene.
What is the SMILES notation for 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The canonical SMILES for 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene is Cc1c(C)n(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.
What is the InChIKey of 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The InChIKey is RIYHSTRTWYAYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2/c1-49-51(3)83(81-65-35-19-15-31-61(65)77(55-25-7-5-8-26-55)62-32-16-20-36-66(62)81)75-47-73-71(45-69(49)75)79(59-41-39-53-23-11-13-29-57(53)43-59)74-48-76-70(46-72(74)80(73)60-42-40-54-24-12-14-30-58(54)44-60)50(2)52(4)84(76)82-67-37-21-17-33-63(67)78(56-27-9-6-10-28-56)64-34-18-22-38-68(64)82/h5-48H,1-4H3.
What are the key properties of 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene has a molecular weight of 1069.36 g/mol, XLogP of 22.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-bis(10-phenylanthracen-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene is sourced from PubChem (CID 58131803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).