12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene

C51H34N4 — CID 166917875

IUPAC12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene
SMILESC1=Cc2cc3c(cc2CC1)c1cc2ccccc2cc1n3-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C51H34N4/c1-2-11-33(12-3-1)35-21-24-36(25-22-35)49-52-50(54-51(53-49)43-26-23-34-13-4-5-14-37(34)27-43)42-19-10-20-44(28-42)55-47-31-40-17-8-6-15-38(40)29-45(47)46-30-39-16-7-9-18-41(39)32-48(46)55/h1-6,8-15,17-32H,7,16H2
InChIKeyAJNLTUVUADZYDA-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.90
Rot. Bonds5

About 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene

12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene (PubChem CID 166917875) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene.

Molecular Properties

Compound Name12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene
PubChem CID166917875
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene
SMILESC1=Cc2cc3c(cc2CC1)c1cc2ccccc2cc1n3-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C51H34N4/c1-2-11-33(12-3-1)35-21-24-36(25-22-35)49-52-50(54-51(53-49)43-26-23-34-13-4-5-14-37(34)27-43)42-19-10-20-44(28-42)55-47-31-40-17-8-6-15-38(40)29-45(47)46-30-39-16-7-9-18-41(39)32-48(46)55/h1-6,8-15,17-32H,7,16H2
InChIKeyAJNLTUVUADZYDA-UHFFFAOYSA-N
XLogP12.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene with MolForge

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Related Compounds

12-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917528
3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477089
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916168
12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450501
12-[3-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916101
9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene?
The IUPAC name of 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene (CID 166917875) is 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene.
What is the SMILES notation for 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene?
The canonical SMILES for 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene is C1=Cc2cc3c(cc2CC1)c1cc2ccccc2cc1n3-c1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene?
The InChIKey is AJNLTUVUADZYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-2-11-33(12-3-1)35-21-24-36(25-22-35)49-52-50(54-51(53-49)43-26-23-34-13-4-5-14-37(34)27-43)42-19-10-20-44(28-42)55-47-31-40-17-8-6-15-38(40)29-45(47)46-30-39-16-7-9-18-41(39)32-48(46)55/h1-6,8-15,17-32H,7,16H2.
What are the key properties of 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene?
12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene has a molecular weight of 702.86 g/mol, XLogP of 12.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2,4,6,8,10,14,16,20-nonaene is sourced from PubChem (CID 166917875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).