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

C55H34N2 — CID 129122547

IUPAC14-[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
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc2)nc2ccccc24)cc1
InChIInChI=1S/C55H34N2/c1-2-16-40(17-3-1)57-51-25-13-11-19-42(51)48-33-47-41-18-10-12-24-50(41)56-55(49(47)34-52(48)57)37-29-27-36(28-30-37)53-43-20-6-8-22-45(43)54(46-23-9-7-21-44(46)53)39-31-26-35-14-4-5-15-38(35)32-39/h1-34H
InChIKeyWBBUUULAYLOLST-UHFFFAOYSA-N
MW722.89 g/mol
LogP14.95
Rot. Bonds4

About 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

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 (PubChem CID 129122547) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-[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
PubChem CID129122547
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name14-[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
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc2)nc2ccccc24)cc1
InChIInChI=1S/C55H34N2/c1-2-16-40(17-3-1)57-51-25-13-11-19-42(51)48-33-47-41-18-10-12-24-50(41)56-55(49(47)34-52(48)57)37-29-27-36(28-30-37)53-43-20-6-8-22-45(43)54(46-23-9-7-21-44(46)53)39-31-26-35-14-4-5-15-38(35)32-39/h1-34H
InChIKeyWBBUUULAYLOLST-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'}

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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
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
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
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
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242
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
2-benzo[b]carbazol-5-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]benzo[b]carbazole
CID 146375026
10,21-diphenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 159109169
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 164723877
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc4c(cc32)c(-c2ccc(-c3c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc35)cc2)nc2ccccc24)cc1.
What is the InChIKey of 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?
The InChIKey is WBBUUULAYLOLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-16-40(17-3-1)57-51-25-13-11-19-42(51)48-33-47-41-18-10-12-24-50(41)56-55(49(47)34-52(48)57)37-29-27-36(28-30-37)53-43-20-6-8-22-45(43)54(46-23-9-7-21-44(46)53)39-31-26-35-14-4-5-15-38(35)32-39/h1-34H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 129122547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).