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

C51H31N5O — CID 171591736

IUPAC9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-27-44-41(30-34)47-45(55(44)35-18-8-3-9-19-35)28-26-39-40-31-36(25-29-46(40)57-48(39)47)56-42-22-12-10-20-37(42)38-21-11-13-23-43(38)56/h1-31H
InChIKeyTUYRXWXNEAYCRS-UHFFFAOYSA-N
MW729.84 g/mol
LogP12.97
Rot. Bonds5

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

9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 171591736) has the molecular formula C51H31N5O and a molecular weight of 729.84 g/mol. Its IUPAC name is 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID171591736
Molecular FormulaC51H31N5O
Molecular Weight729.84 g/mol
Exact Mass729.25
IUPAC Name9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C51H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-27-44-41(30-34)47-45(55(44)35-18-8-3-9-19-35)28-26-39-40-31-36(25-29-46(40)57-48(39)47)56-42-22-12-10-20-37(42)38-21-11-13-23-43(38)56/h1-31H
InChIKeyTUYRXWXNEAYCRS-UHFFFAOYSA-N
XLogP12.97
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-c]carbazole
CID 163831649
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134489560
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole;5-[9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 160890735
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,20,24-triphenyl-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(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 121400422
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-9-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591444
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-21-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 158234819
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
5-[8-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 146226881
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 165103461

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 171591736) is 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3c5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is TUYRXWXNEAYCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-27-44-41(30-34)47-45(55(44)35-18-8-3-9-19-35)28-26-39-40-31-36(25-29-46(40)57-48(39)47)56-42-22-12-10-20-37(42)38-21-11-13-23-43(38)56/h1-31H.
What are the key properties of 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 729.84 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 171591736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).