5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

C45H27N5O — CID 176837415

IUPAC5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-2-14-28(15-3-1)43-46-44(34-20-7-12-24-38(34)49-35-21-9-4-16-29(35)30-17-5-10-22-36(30)49)48-45(47-43)50-37-23-11-6-19-33(37)41-39(50)27-26-32-31-18-8-13-25-40(31)51-42(32)41/h1-27H
InChIKeyFDMNJUUUXKRVHL-UHFFFAOYSA-N
MW653.75 g/mol
LogP11.30
Rot. Bonds4

About 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 176837415) has the molecular formula C45H27N5O and a molecular weight of 653.75 g/mol. Its IUPAC name is 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID176837415
Molecular FormulaC45H27N5O
Molecular Weight653.75 g/mol
Exact Mass653.22
IUPAC Name5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C45H27N5O/c1-2-14-28(15-3-1)43-46-44(34-20-7-12-24-38(34)49-35-21-9-4-16-29(35)30-17-5-10-22-36(30)49)48-45(47-43)50-37-23-11-6-19-33(37)41-39(50)27-26-32-31-18-8-13-25-40(31)51-42(32)41/h1-27H
InChIKeyFDMNJUUUXKRVHL-UHFFFAOYSA-N
XLogP11.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

carbanide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 159261054
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164965431
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;9-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;9-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162138732
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
5-[2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 162500626
14-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176837448
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
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
3-dibenzofuran-3-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 165007385

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 176837415) is 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.
What is the InChIKey of 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is FDMNJUUUXKRVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5O/c1-2-14-28(15-3-1)43-46-44(34-20-7-12-24-38(34)49-35-21-9-4-16-29(35)30-17-5-10-22-36(30)49)48-45(47-43)50-37-23-11-6-19-33(37)41-39(50)27-26-32-31-18-8-13-25-40(31)51-42(32)41/h1-27H.
What are the key properties of 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 653.75 g/mol, XLogP of 11.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176837415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).