4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline

C55H37N3 — CID 129122689

IUPAC4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)cc2)cc1
InChIInChI=1S/C55H37N3/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-42(29-35-46)55-51-37-54-50(36-49(51)47-20-10-12-22-52(47)56-55)48-21-11-13-23-53(48)58(54)43-18-8-3-9-19-43/h1-37H
InChIKeyIKFUVAXXLJYKOR-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.96
Rot. Bonds7

About 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 129122689) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID129122689
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)cc2)cc1
InChIInChI=1S/C55H37N3/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-42(29-35-46)55-51-37-54-50(36-49(51)47-20-10-12-22-52(47)56-55)48-21-11-13-23-53(48)58(54)43-18-8-3-9-19-43/h1-37H
InChIKeyIKFUVAXXLJYKOR-UHFFFAOYSA-N
XLogP14.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122143
10-phenyl-14-(4-triphenylen-2-ylphenyl)-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122722
14-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122609
21-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 129122933
10,21-diphenyl-17-[3-(6-phenylphenanthren-3-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584592
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
3-(3-phenanthridin-6-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 121337544
14-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122547
17-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584322
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,14-diphenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 166584523
10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122750
N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline
CID 163422433

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 129122689) is 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is IKFUVAXXLJYKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-4-14-38(15-5-1)40-24-30-44(31-25-40)57(45-32-26-41(27-33-45)39-16-6-2-7-17-39)46-34-28-42(29-35-46)55-51-37-54-50(36-49(51)47-20-10-12-22-52(47)56-55)48-21-11-13-23-53(48)58(54)43-18-8-3-9-19-43/h1-37H.
What are the key properties of 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 739.92 g/mol, XLogP of 14.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(10-phenyl-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-14-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 129122689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).