2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)

C156H123N15 — CID 161452162

About 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine) (PubChem CID 161452162) has the molecular formula C156H123N15 and a molecular weight of 2207.80 g/mol. Its IUPAC name is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine).

Molecular Properties

• Compound Name: 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)
• PubChem CID: 161452162
• Molecular Formula: C156H123N15
• Molecular Weight: 2207.80 g/mol
• Exact Mass: 2206.01
• IUPAC Name: 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)
• SMILES: CN(C)c1c(N(c2ccccc2)c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1.CN(C)c1c(N(c2ccccc2)c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1.c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)c(N4c5ccccc5CCc5ccccc54)c(N(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C60H45N5.2C48H39N5/c1-7-23-44(24-8-1)53-43-54(62-60(61-53)47-27-9-2-10-28-47)48-41-57(63(49-29-11-3-12-30-49)50-31-13-4-14-32-50)59(58(42-48)64(51-33-15-5-16-34-51)52-35-17-6-18-36-52)65-55-37-21-19-25-45(55)39-40-46-26-20-22-38-56(46)65;2*1-51(2)47-45(52(39-25-13-5-14-26-39)40-27-15-6-16-28-40)33-38(34-46(47)53(41-29-17-7-18-30-41)42-31-19-8-20-32-42)44-35-43(36-21-9-3-10-22-36)49-48(50-44)37-23-11-4-12-24-37/h1-38,41-43H,39-40H2;2*3-35H,1-2H3
• InChIKey: WARBUIKQUVMESL-UHFFFAOYSA-N
• XLogP: 40.95
• TPSA: 106.50 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.80
LogP ≤ 5	40.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)?

The IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine) (CID 161452162) is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine).

What is the SMILES notation for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)?

The canonical SMILES for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine) is CN(C)c1c(N(c2ccccc2)c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1.CN(C)c1c(N(c2ccccc2)c2ccccc2)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1.c1ccc(-c2cc(-c3cc(N(c4ccccc4)c4ccccc4)c(N4c5ccccc5CCc5ccccc54)c(N(c4ccccc4)c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)?

The InChIKey is WARBUIKQUVMESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N5.2C48H39N5/c1-7-23-44(24-8-1)53-43-54(62-60(61-53)47-27-9-2-10-28-47)48-41-57(63(49-29-11-3-12-30-49)50-31-13-4-14-32-50)59(58(42-48)64(51-33-15-5-16-34-51)52-35-17-6-18-36-52)65-55-37-21-19-25-45(55)39-40-46-26-20-22-38-56(46)65;2*1-51(2)47-45(52(39-25-13-5-14-26-39)40-27-15-6-16-28-40)33-38(34-46(47)53(41-29-17-7-18-30-41)42-31-19-8-20-32-42)44-35-43(36-21-9-3-10-22-36)49-48(50-44)37-23-11-4-12-24-37/h1-38,41-43H,39-40H2;2*3-35H,1-2H3.

What are the key properties of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine)?

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine) has a molecular weight of 2207.80 g/mol, XLogP of 40.95, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;bis(5-(2,6-diphenylpyrimidin-4-yl)-2-N,2-N-dimethyl-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,2,3-triamine) is sourced from PubChem (CID 161452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).