5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole

C102H70Br8N8O4 — CID 71517758

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3ccc(OCc4cc(COc5ccc(C(c6c[nH]c7ccc(Br)cc67)c6c[nH]c7ccc(Br)cc67)cc5)c(COc5ccc(C(c6c[nH]c7ccc(Br)cc67)c6c[nH]c7ccc(Br)cc67)cc5)cc4COc4ccc(C(c5c[nH]c6ccc(Br)cc56)c5c[nH]c6ccc(Br)cc56)cc4)cc3)c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C102H70Br8N8O4/c103-63-9-25-91-75(35-63)83(43-111-91)99(84-44-112-92-26-10-64(104)36-76(84)92)55-1-17-71(18-2-55)119-51-59-33-61(53-121-73-21-5-57(6-22-73)101(87-47-115-95-29-13-67(107)39-79(87)95)88-48-116-96-30-14-68(108)40-80(88)96)62(54-122-74-23-7-58(8-24-74)102(89-49-117-97-31-15-69(109)41-81(89)97)90-50-118-98-32-16-70(110)42-82(90)98)34-60(59)52-120-72-19-3-56(4-20-72)100(85-45-113-93-27-11-65(105)37-77(85)93)86-46-114-94-28-12-66(106)38-78(86)94/h1-50,99-102,111-118H,51-54H2
InChIKeyKGADWPDQVUETAV-UHFFFAOYSA-N
MW2110.97 g/mol
LogP30.67
Rot. Bonds24

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole (PubChem CID 71517758) has the molecular formula C102H70Br8N8O4 and a molecular weight of 2110.97 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole
PubChem CID71517758
Molecular FormulaC102H70Br8N8O4
Molecular Weight2110.97 g/mol
Exact Mass2101.90
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3ccc(OCc4cc(COc5ccc(C(c6c[nH]c7ccc(Br)cc67)c6c[nH]c7ccc(Br)cc67)cc5)c(COc5ccc(C(c6c[nH]c7ccc(Br)cc67)c6c[nH]c7ccc(Br)cc67)cc5)cc4COc4ccc(C(c5c[nH]c6ccc(Br)cc56)c5c[nH]c6ccc(Br)cc56)cc4)cc3)c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C102H70Br8N8O4/c103-63-9-25-91-75(35-63)83(43-111-91)99(84-44-112-92-26-10-64(104)36-76(84)92)55-1-17-71(18-2-55)119-51-59-33-61(53-121-73-21-5-57(6-22-73)101(87-47-115-95-29-13-67(107)39-79(87)95)88-48-116-96-30-14-68(108)40-80(88)96)62(54-122-74-23-7-58(8-24-74)102(89-49-117-97-31-15-69(109)41-81(89)97)90-50-118-98-32-16-70(110)42-82(90)98)34-60(59)52-120-72-19-3-56(4-20-72)100(85-45-113-93-27-11-65(105)37-77(85)93)86-46-114-94-28-12-66(106)38-78(86)94/h1-50,99-102,111-118H,51-54H2
InChIKeyKGADWPDQVUETAV-UHFFFAOYSA-N
XLogP30.67
TPSA163.24 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.97
LogP ≤ 530.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole with MolForge

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Related Compounds

3,3'-[(4-Methoxyphenyl) methylene]-bis-(5-bromo-1h-indole)
CID 3745174
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-ethoxyphenyl]methyl]-2-ethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225220
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-propan-2-yloxyphenyl]methyl]-2-propan-2-yloxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225222
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225224
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-prop-2-enoxyphenyl]methyl]-2-prop-2-enoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225226
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-prop-2-ynoxyphenyl]methyl]-2-prop-2-ynoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 139225227
1,4-Bis(4-(di(1h-indol-3-yl)methyl)phenoxy)butane
CID 145864656
1,5-Bis(4-(di(1h-indol-3-yl)methyl)phenoxy)pentane
CID 145864657
1,4-Bis(4-(bis(5-bromo-1h-indol-3-yl)methyl)phenoxy)butane
CID 145864658
1,5-Bis(4-(bis(5-bromo-1h-indol-3-yl)methyl)phenoxy)pentane
CID 145864662
1-[3-[3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-1-yl]-5-(3-pyridin-2-ylphenyl)phenyl]-3,6-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazole
CID 87485036
6-bromo-1-[4-(3-pyrrol-1-ylpropoxy)phenyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 117847823

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole (CID 71517758) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole is Brc1ccc2[nH]cc(C(c3ccc(OCc4cc(COc5ccc(C(c6c[nH]c7ccc(Br)cc67)c6c[nH]c7ccc(Br)cc67)cc5)c(COc5ccc(C(c6c[nH]c7ccc(Br)cc67)c6c[nH]c7ccc(Br)cc67)cc5)cc4COc4ccc(C(c5c[nH]c6ccc(Br)cc56)c5c[nH]c6ccc(Br)cc56)cc4)cc3)c3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole?
The InChIKey is KGADWPDQVUETAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70Br8N8O4/c103-63-9-25-91-75(35-63)83(43-111-91)99(84-44-112-92-26-10-64(104)36-76(84)92)55-1-17-71(18-2-55)119-51-59-33-61(53-121-73-21-5-57(6-22-73)101(87-47-115-95-29-13-67(107)39-79(87)95)88-48-116-96-30-14-68(108)40-80(88)96)62(54-122-74-23-7-58(8-24-74)102(89-49-117-97-31-15-69(109)41-81(89)97)90-50-118-98-32-16-70(110)42-82(90)98)34-60(59)52-120-72-19-3-56(4-20-72)100(85-45-113-93-27-11-65(105)37-77(85)93)86-46-114-94-28-12-66(106)38-78(86)94/h1-50,99-102,111-118H,51-54H2.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole has a molecular weight of 2110.97 g/mol, XLogP of 30.67, 24 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-[4-[[2,4,5-tris[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1H-indole is sourced from PubChem (CID 71517758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).