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

C49H29N5O — CID 167676898

IUPAC12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-11H-indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(oc5cccc(-n6c7ccccc7c7ccc8c9ccccc9[nH]c8c76)c54)c4ccccc34)n2)cc1
InChIInChI=1S/C49H29N5O/c1-3-14-29(15-4-1)47-51-48(30-16-5-2-6-17-30)53-49(52-47)37-28-38-43-41(24-13-25-42(43)55-46(38)36-21-8-7-18-31(36)37)54-40-23-12-10-20-33(40)35-27-26-34-32-19-9-11-22-39(32)50-44(34)45(35)54/h1-28,50H
InChIKeyLWXFDOZXYUUPBE-UHFFFAOYSA-N
MW703.81 g/mol
LogP12.66
Rot. Bonds4

About 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

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 (PubChem CID 167676898) has the molecular formula C49H29N5O and a molecular weight of 703.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-11H-indolo[2,3-a]carbazole
PubChem CID167676898
Molecular FormulaC49H29N5O
Molecular Weight703.81 g/mol
Exact Mass703.24
IUPAC Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-11H-indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(oc5cccc(-n6c7ccccc7c7ccc8c9ccccc9[nH]c8c76)c54)c4ccccc34)n2)cc1
InChIInChI=1S/C49H29N5O/c1-3-14-29(15-4-1)47-51-48(30-16-5-2-6-17-30)53-49(52-47)37-28-38-43-41(24-13-25-42(43)55-46(38)36-21-8-7-18-31(36)37)54-40-23-12-10-20-33(40)35-27-26-34-32-19-9-11-22-39(32)50-44(34)45(35)54/h1-28,50H
InChIKeyLWXFDOZXYUUPBE-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

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
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-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 170080011
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[8-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 170080047
12-dibenzofuran-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385266
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole
CID 167549147
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-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 169011472
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
CID 170268405
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]carbazole
CID 163981624
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(oc5cccc(-n6c7ccccc7c7ccc8c9ccccc9[nH]c8c76)c54)c4ccccc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is LWXFDOZXYUUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5O/c1-3-14-29(15-4-1)47-51-48(30-16-5-2-6-17-30)53-49(52-47)37-28-38-43-41(24-13-25-42(43)55-46(38)36-21-8-7-18-31(36)37)54-40-23-12-10-20-33(40)35-27-26-34-32-19-9-11-22-39(32)50-44(34)45(35)54/h1-28,50H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 167676898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).