3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene

C52H43N5 — CID 145243656

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
SMILESC=Cc1c(/C=C\C)[nH]c2c3c(ccc12)C(C)(C)c1c(ccc2c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c12)C3(C)C
InChIInChI=1S/C52H43N5/c1-7-18-42-36(8-2)38-27-29-40-44(46(38)53-42)51(3,4)41-30-28-39-37-25-15-16-26-43(37)57(47(39)45(41)52(40,5)6)35-24-17-23-34(31-35)50-55-48(32-19-11-9-12-20-32)54-49(56-50)33-21-13-10-14-22-33/h7-31,53H,2H2,1,3-6H3/b18-7-
InChIKeyVVXKPJXHQSHFCL-WSVATBPTSA-N
MW737.95 g/mol
LogP13.09
Rot. Bonds6

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene (PubChem CID 145243656) has the molecular formula C52H43N5 and a molecular weight of 737.95 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
PubChem CID145243656
Molecular FormulaC52H43N5
Molecular Weight737.95 g/mol
Exact Mass737.35
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene
SMILESC=Cc1c(/C=C\C)[nH]c2c3c(ccc12)C(C)(C)c1c(ccc2c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c12)C3(C)C
InChIInChI=1S/C52H43N5/c1-7-18-42-36(8-2)38-27-29-40-44(46(38)53-42)51(3,4)41-30-28-39-37-25-15-16-26-43(37)57(47(39)45(41)52(40,5)6)35-24-17-23-34(31-35)50-55-48(32-19-11-9-12-20-32)54-49(56-50)33-21-13-10-14-22-33/h7-31,53H,2H2,1,3-6H3/b18-7-
InChIKeyVVXKPJXHQSHFCL-WSVATBPTSA-N
XLogP13.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.95
LogP ≤ 513.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene with MolForge

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Related Compounds

1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-3,15,16-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene
CID 139524892
3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-9-phenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-b]carbazole
CID 138534156
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole
CID 163493829
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-16-azahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,15(23),17,19,21,24-undecaene
CID 163452696
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139516699

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene (CID 145243656) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene is C=Cc1c(/C=C\C)[nH]c2c3c(ccc12)C(C)(C)c1c(ccc2c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c12)C3(C)C.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
The InChIKey is VVXKPJXHQSHFCL-WSVATBPTSA-N. The full InChI is InChI=1S/C52H43N5/c1-7-18-42-36(8-2)38-27-29-40-44(46(38)53-42)51(3,4)41-30-28-39-37-25-15-16-26-43(37)57(47(39)45(41)52(40,5)6)35-24-17-23-34(31-35)50-55-48(32-19-11-9-12-20-32)54-49(56-50)33-21-13-10-14-22-33/h7-31,53H,2H2,1,3-6H3/b18-7-.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene has a molecular weight of 737.95 g/mol, XLogP of 13.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-19-ethenyl-14,14,24,24-tetramethyl-18-[(Z)-prop-1-enyl]-3,17-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,20]tetracosa-1(13),2(10),4,6,8,11,15(23),16(20),18,21-decaene is sourced from PubChem (CID 145243656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).