14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C55H34N2 — CID 129123456

IUPAC14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(-c5cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c5)nc5ccccc5c4c32)cc1
InChIInChI=1S/C55H34N2/c1-2-19-40(20-3-1)57-50-28-13-11-21-41(50)46-31-32-48-53(55(46)57)47-26-10-12-27-49(47)56-54(48)39-18-14-17-37(34-39)51-42-22-6-8-24-44(42)52(45-25-9-7-23-43(45)51)38-30-29-35-15-4-5-16-36(35)33-38/h1-34H
InChIKeyQKHRUOMDRBZMJV-UHFFFAOYSA-N
MW722.89 g/mol
LogP14.95
Rot. Bonds4

About 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 129123456) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
PubChem CID129123456
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c(-c5cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c5)nc5ccccc5c4c32)cc1
InChIInChI=1S/C55H34N2/c1-2-19-40(20-3-1)57-50-28-13-11-21-41(50)46-31-32-48-53(55(46)57)47-26-10-12-27-49(47)56-54(48)39-18-14-17-37(34-39)51-42-22-6-8-24-44(42)52(45-25-9-7-23-43(45)51)38-30-29-35-15-4-5-16-36(35)33-38/h1-34H
InChIKeyQKHRUOMDRBZMJV-UHFFFAOYSA-N
XLogP14.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene 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

18-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 166584471
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723862
3-[4-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-[4-(14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-3-yl)phenyl]benzene-1,4-diamine;14-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 158911528
3-phenyl-14-[3-(2-phenylbenzimidazol-1-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123588
diphenyl-[3-(3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-14-yl)phenyl]methanol
CID 129124552
7-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723983
14-phenyl-9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122670
11-phenyl-12-(3-quinolin-2-ylphenyl)indolo[2,3-i]phenanthridine
CID 129122972
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
2,11-diphenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[a]carbazole;3-naphthalen-2-yl-11-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[a]carbazole;11-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)benzo[a]carbazole
CID 161030917
3,14-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164724143

Frequently Asked Questions

What is the IUPAC name of 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 129123456) is 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3ccc4c(-c5cccc(-c6c7ccccc7c(-c7ccc8ccccc8c7)c7ccccc67)c5)nc5ccccc5c4c32)cc1.
What is the InChIKey of 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The InChIKey is QKHRUOMDRBZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-19-40(20-3-1)57-50-28-13-11-21-41(50)46-31-32-48-53(55(46)57)47-26-10-12-27-49(47)56-54(48)39-18-14-17-37(34-39)51-42-22-6-8-24-44(42)52(45-25-9-7-23-43(45)51)38-30-29-35-15-4-5-16-36(35)33-38/h1-34H.
What are the key properties of 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 722.89 g/mol, XLogP of 14.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 129123456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).