4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole

C49H29N5O — CID 167628015

IUPAC4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
SMILESc1ccc(-c2nc(-c3cc4c(oc5cccc(-n6c7ccccc7c7ccccc76)c54)c4ccccc34)nc(-c3cccc4[nH]c5ccccc5c34)n2)cc1
InChIInChI=1S/C49H29N5O/c1-2-14-29(15-3-1)47-51-48(35-21-12-23-39-44(35)34-20-6-9-22-38(34)50-39)53-49(52-47)36-28-37-45-42(26-13-27-43(45)55-46(37)33-19-5-4-16-30(33)36)54-40-24-10-7-17-31(40)32-18-8-11-25-41(32)54/h1-28,50H
InChIKeyJKRMTHAYZKKZEY-UHFFFAOYSA-N
MW703.81 g/mol
LogP12.66
Rot. Bonds4

About 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole

4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole (PubChem CID 167628015) has the molecular formula C49H29N5O and a molecular weight of 703.81 g/mol. Its IUPAC name is 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole.

Molecular Properties

Compound Name4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
PubChem CID167628015
Molecular FormulaC49H29N5O
Molecular Weight703.81 g/mol
Exact Mass703.24
IUPAC Name4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
SMILESc1ccc(-c2nc(-c3cc4c(oc5cccc(-n6c7ccccc7c7ccccc76)c54)c4ccccc34)nc(-c3cccc4[nH]c5ccccc5c34)n2)cc1
InChIInChI=1S/C49H29N5O/c1-2-14-29(15-3-1)47-51-48(35-21-12-23-39-44(35)34-20-6-9-22-38(34)50-39)53-49(52-47)36-28-37-45-42(26-13-27-43(45)55-46(37)33-19-5-4-16-30(33)36)54-40-24-10-7-17-31(40)32-18-8-11-25-41(32)54/h1-28,50H
InChIKeyJKRMTHAYZKKZEY-UHFFFAOYSA-N
XLogP12.66
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.81
LogP ≤ 512.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-11H-indolo[2,3-a]carbazole
CID 167676898
9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole
CID 164834991
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
4-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-9H-carbazole
CID 163998783
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-7-phenylindolo[2,3-b]carbazole
CID 167647554
7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
CID 167588833
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166495909
9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495889

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The IUPAC name of 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole (CID 167628015) is 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole.
What is the SMILES notation for 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The canonical SMILES for 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole is c1ccc(-c2nc(-c3cc4c(oc5cccc(-n6c7ccccc7c7ccccc76)c54)c4ccccc34)nc(-c3cccc4[nH]c5ccccc5c34)n2)cc1.
What is the InChIKey of 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
The InChIKey is JKRMTHAYZKKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5O/c1-2-14-29(15-3-1)47-51-48(35-21-12-23-39-44(35)34-20-6-9-22-38(34)50-39)53-49(52-47)36-28-37-45-42(26-13-27-43(45)55-46(37)33-19-5-4-16-30(33)36)54-40-24-10-7-17-31(40)32-18-8-11-25-41(32)54/h1-28,50H.
What are the key properties of 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole?
4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole has a molecular weight of 703.81 g/mol, XLogP of 12.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole is sourced from PubChem (CID 167628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).