N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine

C49H34N4 — CID 144705628

IUPACN-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine
SMILESC=Nc1ccccc1N1Cc2cc3c(cc2-c2ccccc21)c1ccccc1n3-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C49H34N4/c1-50-43-23-10-13-26-48(43)52-32-37-30-49-42(31-41(37)39-21-8-11-24-46(39)52)40-22-9-12-25-47(40)53(49)38-20-14-19-35(27-38)45-29-36(33-15-4-2-5-16-33)28-44(51-45)34-17-6-3-7-18-34/h2-31H,1,32H2
InChIKeyLLQZOURYIODEJV-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.83
Rot. Bonds6

About N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine

N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine (PubChem CID 144705628) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine
PubChem CID144705628
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC NameN-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine
SMILESC=Nc1ccccc1N1Cc2cc3c(cc2-c2ccccc21)c1ccccc1n3-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C49H34N4/c1-50-43-23-10-13-26-48(43)52-32-37-30-49-42(31-41(37)39-21-8-11-24-46(39)52)40-22-9-12-25-47(40)53(49)38-20-14-19-35(27-38)45-29-36(33-15-4-2-5-16-33)28-44(51-45)34-17-6-3-7-18-34/h2-31H,1,32H2
InChIKeyLLQZOURYIODEJV-UHFFFAOYSA-N
XLogP12.83
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18-nonaen-21-yl]phenyl]methanimine
CID 144705585
N-[2-[10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16,18,20-nonaen-14-yl]phenyl]methanimine
CID 144705717
N-[2-[11-(3-phenylphenyl)-12H-indolo[2,3-i]phenanthridin-13-yl]phenyl]methanimine
CID 144705666
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
5-(3-phenylphenyl)-7-[4-[4-phenyl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155241176
7-phenyl-5-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240898
N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine
CID 144705620
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
3-bromo-9-[3-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 90177181
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158322806

Frequently Asked Questions

What is the IUPAC name of N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine?
The IUPAC name of N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine (CID 144705628) is N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine.
What is the SMILES notation for N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine?
The canonical SMILES for N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine is C=Nc1ccccc1N1Cc2cc3c(cc2-c2ccccc21)c1ccccc1n3-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1.
What is the InChIKey of N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine?
The InChIKey is LLQZOURYIODEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-50-43-23-10-13-26-48(43)52-32-37-30-49-42(31-41(37)39-21-8-11-24-46(39)52)40-22-9-12-25-47(40)53(49)38-20-14-19-35(27-38)45-29-36(33-15-4-2-5-16-33)28-44(51-45)34-17-6-3-7-18-34/h2-31H,1,32H2.
What are the key properties of N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine?
N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine has a molecular weight of 678.84 g/mol, XLogP of 12.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[10-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16,18,20-nonaen-15-yl]phenyl]methanimine is sourced from PubChem (CID 144705628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).