6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene

C84H57N11 — CID 129209682

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
SMILESCN1C(c2ccccc2)N=C(c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8c9ccc%10c%11ccccc%11n(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10c9n(-c9ccccc9)c8c7n(-c7ccccc7)c6c54)c3)ccn2)NC1c1ccccc1
InChIInChI=1S/C84H57N11/c1-91-82(55-29-12-4-13-30-55)87-81(88-83(91)56-31-14-5-15-32-56)70-52-58(49-50-85-70)57-33-24-38-61(51-57)92-71-41-22-20-39-62(71)64-43-45-66-67-47-48-68-69-46-44-65-63-40-21-23-42-72(63)95(84-89-79(53-25-8-2-9-26-53)86-80(90-84)54-27-10-3-11-28-54)78(65)77(69)94(60-36-18-7-19-37-60)76(68)75(67)93(74(66)73(64)92)59-34-16-6-17-35-59/h2-52,82-83H,1H3,(H,87,88)
InChIKeyAMJBSBCGRVSPSP-UHFFFAOYSA-N
MW1220.46 g/mol
LogP19.34
Rot. Bonds10

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene (PubChem CID 129209682) has the molecular formula C84H57N11 and a molecular weight of 1220.46 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
PubChem CID129209682
Molecular FormulaC84H57N11
Molecular Weight1220.46 g/mol
Exact Mass1219.48
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
SMILESCN1C(c2ccccc2)N=C(c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8c9ccc%10c%11ccccc%11n(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10c9n(-c9ccccc9)c8c7n(-c7ccccc7)c6c54)c3)ccn2)NC1c1ccccc1
InChIInChI=1S/C84H57N11/c1-91-82(55-29-12-4-13-30-55)87-81(88-83(91)56-31-14-5-15-32-56)70-52-58(49-50-85-70)57-33-24-38-61(51-57)92-71-41-22-20-39-62(71)64-43-45-66-67-47-48-68-69-46-44-65-63-40-21-23-42-72(63)95(84-89-79(53-25-8-2-9-26-53)86-80(90-84)54-27-10-3-11-28-54)78(65)77(69)94(60-36-18-7-19-37-60)76(68)75(67)93(74(66)73(64)92)59-34-16-6-17-35-59/h2-52,82-83H,1H3,(H,87,88)
InChIKeyAMJBSBCGRVSPSP-UHFFFAOYSA-N
XLogP19.34
TPSA98.91 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.46
LogP ≤ 519.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene (CID 129209682) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene is CN1C(c2ccccc2)N=C(c2cc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8c9ccc%10c%11ccccc%11n(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10c9n(-c9ccccc9)c8c7n(-c7ccccc7)c6c54)c3)ccn2)NC1c1ccccc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?
The InChIKey is AMJBSBCGRVSPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N11/c1-91-82(55-29-12-4-13-30-55)87-81(88-83(91)56-31-14-5-15-32-56)70-52-58(49-50-85-70)57-33-24-38-61(51-57)92-71-41-22-20-39-62(71)64-43-45-66-67-47-48-68-69-46-44-65-63-40-21-23-42-72(63)95(84-89-79(53-25-8-2-9-26-53)86-80(90-84)54-27-10-3-11-28-54)78(65)77(69)94(60-36-18-7-19-37-60)76(68)75(67)93(74(66)73(64)92)59-34-16-6-17-35-59/h2-52,82-83H,1H3,(H,87,88).
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene has a molecular weight of 1220.46 g/mol, XLogP of 19.34, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-31-[3-[2-(3-methyl-2,4-diphenyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-pyridinyl]phenyl]-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene is sourced from PubChem (CID 129209682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).