7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene

C84H48N10 — CID 146512962

About 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene

7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene (PubChem CID 146512962) has the molecular formula C84H48N10 and a molecular weight of 1197.38 g/mol. Its IUPAC name is 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene.

Molecular Properties

• Compound Name: 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene
• PubChem CID: 146512962
• Molecular Formula: C84H48N10
• Molecular Weight: 1197.38 g/mol
• Exact Mass: 1196.41
• IUPAC Name: 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2n4-c2ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5cc6c8cccnc8n8c9ccccc9nc8c6cc5n7-c5ccccc5)cc4)cc2)c2nc4ccccc4n2c2cccnc32)cc1
• InChI: InChI=1S/C84H48N10/c1-3-17-51(18-4-1)89-70-26-11-7-21-55(70)61-44-78-64(46-75(61)89)60-42-65-67(83-87-68-24-9-13-28-72(68)93(83)74-30-16-39-85-81(65)74)48-80(60)92(78)54-37-33-50(34-38-54)49-31-35-53(36-32-49)90-71-27-12-8-22-56(71)62-43-77-63(45-76(62)90)59-41-58-57-23-15-40-86-82(57)94-73-29-14-10-25-69(73)88-84(94)66(58)47-79(59)91(77)52-19-5-2-6-20-52/h1-48H
• InChIKey: ARBIJGAOZLSHME-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 80.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.38
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene?

The IUPAC name of 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene (CID 146512962) is 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene.

What is the SMILES notation for 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene?

The canonical SMILES for 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2cc3c(cc2n4-c2ccc(-c4ccc(-n5c6ccccc6c6cc7c(cc65)c5cc6c8cccnc8n8c9ccccc9nc8c6cc5n7-c5ccccc5)cc4)cc2)c2nc4ccccc4n2c2cccnc32)cc1.

What is the InChIKey of 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene?

The InChIKey is ARBIJGAOZLSHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H48N10/c1-3-17-51(18-4-1)89-70-26-11-7-21-55(70)61-44-78-64(46-75(61)89)60-42-65-67(83-87-68-24-9-13-28-72(68)93(83)74-30-16-39-85-81(65)74)48-80(60)92(78)54-37-33-50(34-38-54)49-31-35-53(36-32-49)90-71-27-12-8-22-56(71)62-43-77-63(45-76(62)90)59-41-58-57-23-15-40-86-82(57)94-73-29-14-10-25-69(73)88-84(94)66(58)47-79(59)91(77)52-19-5-2-6-20-52/h1-48H.

What are the key properties of 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene?

7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene has a molecular weight of 1197.38 g/mol, XLogP of 20.75, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-17-[4-[4-(17-phenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaen-7-yl)phenyl]phenyl]-7,17,22,29,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,21,23,25,27,30(35),31,33-hexadecaene is sourced from PubChem (CID 146512962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).