10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene

C104H59N9 — CID 129163325

IUPAC10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(c2)c2ncc(-c4ccc5cc(-c6ccc7cc(-c8ccc9c(c8)c8ncc(-c%10ccc%11ccc(-c%12c%13ccccc%13c(-c%13ccc%14c(c%13)c%13ncccc%13c%13nc%15ccccc%15n%14%13)c%13ccccc%12%13)cc%11c%10)cc8c8nc%10ccccc%10n98)ccc7c6)ccc5c4)cc2c2nc4ccccc4n32)cc1
InChIInChI=1S/C104H59N9/c1-2-15-60(16-3-1)71-40-43-91-83(53-71)100-86(103-109-89-23-9-12-26-95(89)112(91)103)56-76(58-106-100)69-38-37-66-48-63(33-34-67(66)50-69)62-31-32-65-49-68(36-35-64(65)47-62)72-41-44-92-84(54-72)101-87(104-110-90-24-10-13-27-96(90)113(92)104)57-77(59-107-101)70-30-28-61-29-39-73(52-75(61)51-70)97-78-17-4-6-19-80(78)98(81-20-7-5-18-79(81)97)74-42-45-93-85(55-74)99-82(21-14-46-105-99)102-108-88-22-8-11-25-94(88)111(93)102/h1-59H
InChIKeyBAXWZVDOAUTELF-UHFFFAOYSA-N
MW1434.68 g/mol
LogP26.63
Rot. Bonds7

About 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene

10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene (PubChem CID 129163325) has the molecular formula C104H59N9 and a molecular weight of 1434.68 g/mol. Its IUPAC name is 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene.

Molecular Properties

Compound Name10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
PubChem CID129163325
Molecular FormulaC104H59N9
Molecular Weight1434.68 g/mol
Exact Mass1433.49
IUPAC Name10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
SMILESc1ccc(-c2ccc3c(c2)c2ncc(-c4ccc5cc(-c6ccc7cc(-c8ccc9c(c8)c8ncc(-c%10ccc%11ccc(-c%12c%13ccccc%13c(-c%13ccc%14c(c%13)c%13ncccc%13c%13nc%15ccccc%15n%14%13)c%13ccccc%12%13)cc%11c%10)cc8c8nc%10ccccc%10n98)ccc7c6)ccc5c4)cc2c2nc4ccccc4n32)cc1
InChIInChI=1S/C104H59N9/c1-2-15-60(16-3-1)71-40-43-91-83(53-71)100-86(103-109-89-23-9-12-26-95(89)112(91)103)56-76(58-106-100)69-38-37-66-48-63(33-34-67(66)50-69)62-31-32-65-49-68(36-35-64(65)47-62)72-41-44-92-84(54-72)101-87(104-110-90-24-10-13-27-96(90)113(92)104)57-77(59-107-101)70-30-28-61-29-39-73(52-75(61)51-70)97-78-17-4-6-19-80(78)98(81-20-7-5-18-79(81)97)74-42-45-93-85(55-74)99-82(21-14-46-105-99)102-108-88-22-8-11-25-94(88)111(93)102/h1-59H
InChIKeyBAXWZVDOAUTELF-UHFFFAOYSA-N
XLogP26.63
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001434.68
LogP ≤ 526.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?
The IUPAC name of 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene (CID 129163325) is 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene.
What is the SMILES notation for 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?
The canonical SMILES for 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene is c1ccc(-c2ccc3c(c2)c2ncc(-c4ccc5cc(-c6ccc7cc(-c8ccc9c(c8)c8ncc(-c%10ccc%11ccc(-c%12c%13ccccc%13c(-c%13ccc%14c(c%13)c%13ncccc%13c%13nc%15ccccc%15n%14%13)c%13ccccc%12%13)cc%11c%10)cc8c8nc%10ccccc%10n98)ccc7c6)ccc5c4)cc2c2nc4ccccc4n32)cc1.
What is the InChIKey of 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?
The InChIKey is BAXWZVDOAUTELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H59N9/c1-2-15-60(16-3-1)71-40-43-91-83(53-71)100-86(103-109-89-23-9-12-26-95(89)112(91)103)56-76(58-106-100)69-38-37-66-48-63(33-34-67(66)50-69)62-31-32-65-49-68(36-35-64(65)47-62)72-41-44-92-84(54-72)101-87(104-110-90-24-10-13-27-96(90)113(92)104)57-77(59-107-101)70-30-28-61-29-39-73(52-75(61)51-70)97-78-17-4-6-19-80(78)98(81-20-7-5-18-79(81)97)74-42-45-93-85(55-74)99-82(21-14-46-105-99)102-108-88-22-8-11-25-94(88)111(93)102/h1-59H.
What are the key properties of 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene?
10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene has a molecular weight of 1434.68 g/mol, XLogP of 26.63, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-4-[6-[6-[4-[7-[10-(6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl)anthracen-9-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-10-yl]naphthalen-2-yl]naphthalen-2-yl]-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene is sourced from PubChem (CID 129163325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).