1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole

C69H39BrN4O3 — CID 142568680

IUPAC1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole
SMILESBrc1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7cccc(-c8cccc9c8[nH]c8ccc(-c%10cccc%11c%10oc%10ccccc%10%11)cc89)c7)cccc6c5c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C69H39BrN4O3/c70-47-30-25-41(26-31-47)68-72-67(73-69(74-68)46-27-32-53-51-11-1-3-19-60(51)75-63(53)38-46)40-23-21-39(22-24-40)42-29-34-62-58(36-42)56-18-8-14-49(66(56)77-62)44-10-5-9-43(35-44)48-13-6-16-54-57-37-45(28-33-59(57)71-64(48)54)50-15-7-17-55-52-12-2-4-20-61(52)76-65(50)55/h1-38,71H
InChIKeyUIKVVMYGPYKUCP-UHFFFAOYSA-N
MW1052.00 g/mol
LogP19.64
Rot. Bonds7

About 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole

1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole (PubChem CID 142568680) has the molecular formula C69H39BrN4O3 and a molecular weight of 1052.00 g/mol. Its IUPAC name is 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole.

Molecular Properties

Compound Name1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole
PubChem CID142568680
Molecular FormulaC69H39BrN4O3
Molecular Weight1052.00 g/mol
Exact Mass1050.22
IUPAC Name1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole
SMILESBrc1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7cccc(-c8cccc9c8[nH]c8ccc(-c%10cccc%11c%10oc%10ccccc%10%11)cc89)c7)cccc6c5c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C69H39BrN4O3/c70-47-30-25-41(26-31-47)68-72-67(73-69(74-68)46-27-32-53-51-11-1-3-19-60(51)75-63(53)38-46)40-23-21-39(22-24-40)42-29-34-62-58(36-42)56-18-8-14-49(66(56)77-62)44-10-5-9-43(35-44)48-13-6-16-54-57-37-45(28-33-59(57)71-64(48)54)50-15-7-17-55-52-12-2-4-20-61(52)76-65(50)55/h1-38,71H
InChIKeyUIKVVMYGPYKUCP-UHFFFAOYSA-N
XLogP19.64
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.00
LogP ≤ 519.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole
CID 142568610
2-dibenzofuran-3-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146431709
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192137
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192190
2-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146431469
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167655818
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole?
The IUPAC name of 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole (CID 142568680) is 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole.
What is the SMILES notation for 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole?
The canonical SMILES for 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole is Brc1ccc(-c2nc(-c3ccc(-c4ccc5oc6c(-c7cccc(-c8cccc9c8[nH]c8ccc(-c%10cccc%11c%10oc%10ccccc%10%11)cc89)c7)cccc6c5c4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole?
The InChIKey is UIKVVMYGPYKUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H39BrN4O3/c70-47-30-25-41(26-31-47)68-72-67(73-69(74-68)46-27-32-53-51-11-1-3-19-60(51)75-63(53)38-46)40-23-21-39(22-24-40)42-29-34-62-58(36-42)56-18-8-14-49(66(56)77-62)44-10-5-9-43(35-44)48-13-6-16-54-57-37-45(28-33-59(57)71-64(48)54)50-15-7-17-55-52-12-2-4-20-61(52)76-65(50)55/h1-38,71H.
What are the key properties of 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole?
1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole has a molecular weight of 1052.00 g/mol, XLogP of 19.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-[4-[4-(4-bromophenyl)-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-6-dibenzofuran-4-yl-9H-carbazole is sourced from PubChem (CID 142568680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).