6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole

C41H27N5 — CID 90270859

IUPAC6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccn5-c5ccccc5)c(-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-15-28(16-6-1)34-27-36-37(38-32(34)25-26-45(38)31-21-11-4-12-22-31)33-23-13-14-24-35(33)46(36)41-43-39(29-17-7-2-8-18-29)42-40(44-41)30-19-9-3-10-20-30/h1-27H
InChIKeySJDOAJCACFWJCX-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.91
Rot. Bonds5

About 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole

6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole (PubChem CID 90270859) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole
PubChem CID90270859
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccn5-c5ccccc5)c(-c5ccccc5)cc43)n2)cc1
InChIInChI=1S/C41H27N5/c1-5-15-28(16-6-1)34-27-36-37(38-32(34)25-26-45(38)31-21-11-4-12-22-31)33-23-13-14-24-35(33)46(36)41-43-39(29-17-7-2-8-18-29)42-40(44-41)30-19-9-3-10-20-30/h1-27H
InChIKeySJDOAJCACFWJCX-UHFFFAOYSA-N
XLogP9.91
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,14-diphenyl-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 170255512
12-phenyl-7-(3-phenylphenyl)-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 164799980
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,4-diphenylpyrrolo[2,3-b]carbazole
CID 163664965
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,15-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449603
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-5-phenylindolo[3,2-a]carbazole
CID 142314945
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18-diphenyl-9,18,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
CID 90267290
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037201
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,12-diphenylindolo[2,3-b]carbazole
CID 170255499

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole?
The IUPAC name of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole (CID 90270859) is 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole.
What is the SMILES notation for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole?
The canonical SMILES for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccn5-c5ccccc5)c(-c5ccccc5)cc43)n2)cc1.
What is the InChIKey of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole?
The InChIKey is SJDOAJCACFWJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-5-15-28(16-6-1)34-27-36-37(38-32(34)25-26-45(38)31-21-11-4-12-22-31)33-23-13-14-24-35(33)46(36)41-43-39(29-17-7-2-8-18-29)42-40(44-41)30-19-9-3-10-20-30/h1-27H.
What are the key properties of 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole?
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole has a molecular weight of 589.70 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,4-diphenylpyrrolo[3,2-c]carbazole is sourced from PubChem (CID 90270859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).