N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene

C156H132N12 — CID 163763631

About N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene

N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene (PubChem CID 163763631) has the molecular formula C156H132N12 and a molecular weight of 2174.86 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene.

Molecular Properties

• Compound Name: N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene
• PubChem CID: 163763631
• Molecular Formula: C156H132N12
• Molecular Weight: 2174.86 g/mol
• Exact Mass: 2173.07
• IUPAC Name: N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc2C1(C)C)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5c6ccccc6-c6ccc7c(c65)C(C)(C)C(C)(C)c5ccccc5-7)c4)n3)cc21.[H]/N=C(/N=C(/N=C/c1ccc2c(c1)C(C)(C)C(C)(C)c1ccccc1-2)c1cccc(-n2c3ccccc3c3c4c(ccc32)C(C)(C)C(C)(C)c2ccccc2-4)c1)c1ccccc1
• InChI: InChI=1S/C57H52N4.C55H45N3.C44H35N5/c1-54(2)44-26-15-12-23-40(44)41-30-29-36(33-47(41)57(54,7)8)35-59-53(60-52(58)37-19-10-9-11-20-37)38-21-18-22-39(34-38)61-48-28-17-14-25-43(48)51-49(61)32-31-46-50(51)42-24-13-16-27-45(42)55(3,4)56(46,5)6;1-53(2)44-25-14-12-22-38(44)40-28-27-36(32-46(40)53)52-57-50(33-17-8-7-9-18-33)56-51(58-52)35-20-16-19-34(31-35)47-41-24-11-10-21-37(41)42-29-30-43-39-23-13-15-26-45(39)54(3,4)55(5,6)49(43)48(42)47;1-43(2)35-21-13-11-19-31(35)33-26-38-34(25-36(33)44(43,3)4)32-20-12-14-22-37(32)49(38)39-24-23-30(27-45-39)42-47-40(28-15-7-5-8-16-28)46-41(48-42)29-17-9-6-10-18-29/h9-35,58H,1-8H3;7-32,47H,1-6H3;5-27H,1-4H3/b58-52+,59-35+,60-53+
• InChIKey: MAJCVOKUMDVMNI-RJCFSNGUSA-N
• XLogP: 38.32
• TPSA: 148.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2174.86
LogP ≤ 5	38.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene?

The IUPAC name of N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene (CID 163763631) is N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene.

What is the SMILES notation for N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene?

The canonical SMILES for N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene is CC1(C)c2ccccc2-c2cc3c(cc2C1(C)C)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cn1.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(C5c6ccccc6-c6ccc7c(c65)C(C)(C)C(C)(C)c5ccccc5-7)c4)n3)cc21.[H]/N=C(/N=C(/N=C/c1ccc2c(c1)C(C)(C)C(C)(C)c1ccccc1-2)c1cccc(-n2c3ccccc3c3c4c(ccc32)C(C)(C)C(C)(C)c2ccccc2-4)c1)c1ccccc1.

What is the InChIKey of N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene?

The InChIKey is MAJCVOKUMDVMNI-RJCFSNGUSA-N. The full InChI is InChI=1S/C57H52N4.C55H45N3.C44H35N5/c1-54(2)44-26-15-12-23-40(44)41-30-29-36(33-47(41)57(54,7)8)35-59-53(60-52(58)37-19-10-9-11-20-37)38-21-18-22-39(34-38)61-48-28-17-14-25-43(48)51-49(61)32-31-46-50(51)42-24-13-16-27-45(42)55(3,4)56(46,5)6;1-53(2)44-25-14-12-22-38(44)40-28-27-36(32-46(40)53)52-57-50(33-17-8-7-9-18-33)56-51(58-52)35-20-16-19-34(31-35)47-41-24-11-10-21-37(41)42-29-30-43-39-23-13-15-26-45(39)54(3,4)55(5,6)49(43)48(42)47;1-43(2)35-21-13-11-19-31(35)33-26-38-34(25-36(33)44(43,3)4)32-20-12-14-22-37(32)49(38)39-24-23-30(27-45-39)42-47-40(28-15-7-5-8-16-28)46-41(48-42)29-17-9-6-10-18-29/h9-35,58H,1-8H3;7-32,47H,1-6H3;5-27H,1-4H3/b58-52+,59-35+,60-53+;;.

What are the key properties of N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene?

N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene has a molecular weight of 2174.86 g/mol, XLogP of 38.32, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(benzenecarboximidoyl)-3-(14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaen-9-yl)-N-[(9,9,10,10-tetramethylphenanthren-2-yl)methylidene]benzenecarboximidamide;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(12,12,13,13-tetramethyl-11H-indeno[2,3-a]phenanthren-11-yl)phenyl]-1,3,5-triazine;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-20,20,21,21-tetramethyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaene is sourced from PubChem (CID 163763631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).