6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene

C70H48N2 — CID 58161130

IUPAC6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
SMILESCc1c(C)n(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2c1ccc1c3ccc4c(C)c(C)n(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4c3ccc12
InChIInChI=1S/C70H48N2/c1-41-43(3)71(69-59-29-13-9-25-55(59)65(56-26-10-14-30-60(56)69)53-33-17-21-45-19-5-7-23-49(45)53)67-47(41)35-37-51-52-38-36-48-42(2)44(4)72(68(48)64(52)40-39-63(51)67)70-61-31-15-11-27-57(61)66(58-28-12-16-32-62(58)70)54-34-18-22-46-20-6-8-24-50(46)54/h5-40H,1-4H3
InChIKeyNMWHBPYTELPLEN-UHFFFAOYSA-N
MW917.17 g/mol
LogP19.37
Rot. Bonds4

About 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene

6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene (PubChem CID 58161130) has the molecular formula C70H48N2 and a molecular weight of 917.17 g/mol. Its IUPAC name is 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
PubChem CID58161130
Molecular FormulaC70H48N2
Molecular Weight917.17 g/mol
Exact Mass916.38
IUPAC Name6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
SMILESCc1c(C)n(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2c1ccc1c3ccc4c(C)c(C)n(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4c3ccc12
InChIInChI=1S/C70H48N2/c1-41-43(3)71(69-59-29-13-9-25-55(59)65(56-26-10-14-30-60(56)69)53-33-17-21-45-19-5-7-23-49(45)53)67-47(41)35-37-51-52-38-36-48-42(2)44(4)72(68(48)64(52)40-39-63(51)67)70-61-31-15-11-27-57(61)66(58-28-12-16-32-62(58)70)54-34-18-22-46-20-6-8-24-50(46)54/h5-40H,1-4H3
InChIKeyNMWHBPYTELPLEN-UHFFFAOYSA-N
XLogP19.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.17
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene with MolForge

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Related Compounds

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9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
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Frequently Asked Questions

What is the IUPAC name of 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
The IUPAC name of 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene (CID 58161130) is 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene.
What is the SMILES notation for 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
The canonical SMILES for 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene is Cc1c(C)n(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c2c1ccc1c3ccc4c(C)c(C)n(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4c3ccc12.
What is the InChIKey of 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
The InChIKey is NMWHBPYTELPLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-41-43(3)71(69-59-29-13-9-25-55(59)65(56-26-10-14-30-60(56)69)53-33-17-21-45-19-5-7-23-49(45)53)67-47(41)35-37-51-52-38-36-48-42(2)44(4)72(68(48)64(52)40-39-63(51)67)70-61-31-15-11-27-57(61)66(58-28-12-16-32-62(58)70)54-34-18-22-46-20-6-8-24-50(46)54/h5-40H,1-4H3.
What are the key properties of 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene?
6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene has a molecular weight of 917.17 g/mol, XLogP of 19.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,16,17-tetramethyl-8,15-bis(10-naphthalen-1-ylanthracen-9-yl)-8,15-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene is sourced from PubChem (CID 58161130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).