5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole

C46H31N5 — CID 155183616

IUPAC5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)c1
InChIInChI=1S/C46H31N5/c1-30-15-14-18-32(29-30)45-47-44(31-16-4-2-5-17-31)48-46(49-45)37-23-10-13-26-40(37)51-39-25-12-9-22-36(39)42-41(51)28-27-35-34-21-8-11-24-38(34)50(43(35)42)33-19-6-3-7-20-33/h2-29H,1H3
InChIKeyPDOUOGOFZWUMSW-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.38
Rot. Bonds5

About 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 155183616) has the molecular formula C46H31N5 and a molecular weight of 653.79 g/mol. Its IUPAC name is 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID155183616
Molecular FormulaC46H31N5
Molecular Weight653.79 g/mol
Exact Mass653.26
IUPAC Name5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)c1
InChIInChI=1S/C46H31N5/c1-30-15-14-18-32(29-30)45-47-44(31-16-4-2-5-17-31)48-46(49-45)37-23-10-13-26-40(37)51-39-25-12-9-22-36(39)42-41(51)28-27-35-34-21-8-11-24-38(34)50(43(35)42)33-19-6-3-7-20-33/h2-29H,1H3
InChIKeyPDOUOGOFZWUMSW-UHFFFAOYSA-N
XLogP11.38
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 170268528
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155183579
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
5-[2-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 146573174
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162500605
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 169036916
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 155628027
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 170267809
6-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-11-phenylbenzo[a]carbazole
CID 174274925

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 155183616) is 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)n2)c1.
What is the InChIKey of 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is PDOUOGOFZWUMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5/c1-30-15-14-18-32(29-30)45-47-44(31-16-4-2-5-17-31)48-46(49-45)37-23-10-13-26-40(37)51-39-25-12-9-22-36(39)42-41(51)28-27-35-34-21-8-11-24-38(34)50(43(35)42)33-19-6-3-7-20-33/h2-29H,1H3.
What are the key properties of 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 653.79 g/mol, XLogP of 11.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155183616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).