9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene

C143H112N12 — CID 163645411

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene
SMILESCC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3c2C1(C)C
InChIInChI=1S/2C49H38N4.C45H36N4/c1-48(2)40-25-15-13-22-34(40)37-27-28-38-36-24-14-16-26-41(36)53(44(38)43(37)49(48,3)4)42-30-29-39(33-21-11-12-23-35(33)42)47-51-45(31-17-7-5-8-18-31)50-46(52-47)32-19-9-6-10-20-32;1-48(2)38-25-15-13-23-36(38)43-39(49(48,3)4)28-30-42-44(43)37-24-14-16-26-40(37)53(42)41-29-27-35(33-21-11-12-22-34(33)41)47-51-45(31-17-7-5-8-18-31)50-46(52-47)32-19-9-6-10-20-32;1-44(2)35-21-13-11-19-33(35)39-36(45(44,3)4)27-28-38-40(39)34-20-12-14-22-37(34)49(38)32-25-23-31(24-26-32)43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30/h2*5-30H,1-4H3;5-28H,1-4H3
InChIKeyIHUOXQXOPXKSFT-UHFFFAOYSA-N
MW1998.55 g/mol
LogP35.92
Rot. Bonds12

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene (PubChem CID 163645411) has the molecular formula C143H112N12 and a molecular weight of 1998.55 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene
PubChem CID163645411
Molecular FormulaC143H112N12
Molecular Weight1998.55 g/mol
Exact Mass1996.91
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene
SMILESCC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3c2C1(C)C
InChIInChI=1S/2C49H38N4.C45H36N4/c1-48(2)40-25-15-13-22-34(40)37-27-28-38-36-24-14-16-26-41(36)53(44(38)43(37)49(48,3)4)42-30-29-39(33-21-11-12-23-35(33)42)47-51-45(31-17-7-5-8-18-31)50-46(52-47)32-19-9-6-10-20-32;1-48(2)38-25-15-13-23-36(38)43-39(49(48,3)4)28-30-42-44(43)37-24-14-16-26-40(37)53(42)41-29-27-35(33-21-11-12-22-34(33)41)47-51-45(31-17-7-5-8-18-31)50-46(52-47)32-19-9-6-10-20-32;1-44(2)35-21-13-11-19-33(35)39-36(45(44,3)4)27-28-38-40(39)34-20-12-14-22-37(34)49(38)32-25-23-31(24-26-32)43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30/h2*5-30H,1-4H3;5-28H,1-4H3
InChIKeyIHUOXQXOPXKSFT-UHFFFAOYSA-N
XLogP35.92
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001998.55
LogP ≤ 535.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene (CID 163645411) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene is CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3c2c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)C1(C)C.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)c3c2C1(C)C.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?
The InChIKey is IHUOXQXOPXKSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H38N4.C45H36N4/c1-48(2)40-25-15-13-22-34(40)37-27-28-38-36-24-14-16-26-41(36)53(44(38)43(37)49(48,3)4)42-30-29-39(33-21-11-12-23-35(33)42)47-51-45(31-17-7-5-8-18-31)50-46(52-47)32-19-9-6-10-20-32;1-48(2)38-25-15-13-23-36(38)43-39(49(48,3)4)28-30-42-44(43)37-24-14-16-26-40(37)53(42)41-29-27-35(33-21-11-12-22-34(33)41)47-51-45(31-17-7-5-8-18-31)50-46(52-47)32-19-9-6-10-20-32;1-44(2)35-21-13-11-19-33(35)39-36(45(44,3)4)27-28-38-40(39)34-20-12-14-22-37(34)49(38)32-25-23-31(24-26-32)43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30/h2*5-30H,1-4H3;5-28H,1-4H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene has a molecular weight of 1998.55 g/mol, XLogP of 35.92, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethylnaphtho[2,1-a]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14,15,15-tetramethyl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16,18,20-nonaene is sourced from PubChem (CID 163645411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).