23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

C54H34ClN5 — CID 169058375

IUPAC23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESCC1(C)c2cccc3c2-c2c1c(-c1cccc(-c4nc(Cl)nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)c1)cc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C54H34ClN5/c1-54(2)42-22-13-21-38-35-18-6-10-24-44(35)60-45-25-11-8-20-37(45)41-30-39(49(54)48(47(38)42)50(41)60)31-14-12-15-32(28-31)51-56-52(58-53(55)57-51)33-26-27-46-40(29-33)36-19-7-9-23-43(36)59(46)34-16-4-3-5-17-34/h3-30H,1-2H3
InChIKeyFIYFRIVBWYNWGQ-UHFFFAOYSA-N
MW788.35 g/mol
LogP14.01
Rot. Bonds4

About 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene

23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (PubChem CID 169058375) has the molecular formula C54H34ClN5 and a molecular weight of 788.35 g/mol. Its IUPAC name is 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
PubChem CID169058375
Molecular FormulaC54H34ClN5
Molecular Weight788.35 g/mol
Exact Mass787.25
IUPAC Name23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene
SMILESCC1(C)c2cccc3c2-c2c1c(-c1cccc(-c4nc(Cl)nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)c1)cc1c4ccccc4n(c21)-c1ccccc1-3
InChIInChI=1S/C54H34ClN5/c1-54(2)42-22-13-21-38-35-18-6-10-24-44(35)60-45-25-11-8-20-37(45)41-30-39(49(54)48(47(38)42)50(41)60)31-14-12-15-32(28-31)51-56-52(58-53(55)57-51)33-26-27-46-40(29-33)36-19-7-9-23-43(36)59(46)34-16-4-3-5-17-34/h3-30H,1-2H3
InChIKeyFIYFRIVBWYNWGQ-UHFFFAOYSA-N
XLogP14.01
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.35
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene with MolForge

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Related Compounds

26,26-dimethyl-4-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058223
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
6-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-26-methyl-26-(3-phenylphenyl)-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058230
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 153028901
22-(4-chloro-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 169058353
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649

Frequently Asked Questions

What is the IUPAC name of 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The IUPAC name of 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene (CID 169058375) is 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene.
What is the SMILES notation for 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The canonical SMILES for 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is CC1(C)c2cccc3c2-c2c1c(-c1cccc(-c4nc(Cl)nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)c1)cc1c4ccccc4n(c21)-c1ccccc1-3.
What is the InChIKey of 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
The InChIKey is FIYFRIVBWYNWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34ClN5/c1-54(2)42-22-13-21-38-35-18-6-10-24-44(35)60-45-25-11-8-20-37(45)41-30-39(49(54)48(47(38)42)50(41)60)31-14-12-15-32(28-31)51-56-52(58-53(55)57-51)33-26-27-46-40(29-33)36-19-7-9-23-43(36)59(46)34-16-4-3-5-17-34/h3-30H,1-2H3.
What are the key properties of 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene?
23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene has a molecular weight of 788.35 g/mol, XLogP of 14.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-[3-[4-chloro-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(25),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene is sourced from PubChem (CID 169058375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).