9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole

C117H110N6O8 — CID 59270967

IUPAC9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole
SMILESCc1cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c2)cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C117H110N6O8/c1-83-74-86(130-81-84-76-112(124-68-32-26-62-118-100-50-14-2-38-88(100)89-39-3-15-51-101(89)118)116(128-72-36-30-66-122-108-58-22-10-46-96(108)97-47-11-23-59-109(97)122)113(77-84)125-69-33-27-63-119-102-52-16-4-40-90(102)91-41-5-17-53-103(91)119)80-87(75-83)131-82-85-78-114(126-70-34-28-64-120-104-54-18-6-42-92(104)93-43-7-19-55-105(93)120)117(129-73-37-31-67-123-110-60-24-12-48-98(110)99-49-13-25-61-111(99)123)115(79-85)127-71-35-29-65-121-106-56-20-8-44-94(106)95-45-9-21-57-107(95)121/h2-25,38-61,74-80H,26-37,62-73,81-82H2,1H3
InChIKeyFYHRGTHHSSWNRV-UHFFFAOYSA-N
MW1728.20 g/mol
LogP28.96
Rot. Bonds42

About 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole

9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole (PubChem CID 59270967) has the molecular formula C117H110N6O8 and a molecular weight of 1728.20 g/mol. Its IUPAC name is 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole.

Molecular Properties

Compound Name9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole
PubChem CID59270967
Molecular FormulaC117H110N6O8
Molecular Weight1728.20 g/mol
Exact Mass1726.84
IUPAC Name9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole
SMILESCc1cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c2)cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C117H110N6O8/c1-83-74-86(130-81-84-76-112(124-68-32-26-62-118-100-50-14-2-38-88(100)89-39-3-15-51-101(89)118)116(128-72-36-30-66-122-108-58-22-10-46-96(108)97-47-11-23-59-109(97)122)113(77-84)125-69-33-27-63-119-102-52-16-4-40-90(102)91-41-5-17-53-103(91)119)80-87(75-83)131-82-85-78-114(126-70-34-28-64-120-104-54-18-6-42-92(104)93-43-7-19-55-105(93)120)117(129-73-37-31-67-123-110-60-24-12-48-98(110)99-49-13-25-61-111(99)123)115(79-85)127-71-35-29-65-121-106-56-20-8-44-94(106)95-45-9-21-57-107(95)121/h2-25,38-61,74-80H,26-37,62-73,81-82H2,1H3
InChIKeyFYHRGTHHSSWNRV-UHFFFAOYSA-N
XLogP28.96
TPSA103.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds42
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.20
LogP ≤ 528.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole with MolForge

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Related Compounds

tris([3,5-bis[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenyl]methyl 6-(3H-1-benzothiophen-3-id-2-yl)pyridine-3-carboxylate);iridium(3+)
CID 140604962
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
[3-[3,5-bis[[3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methoxy]benzoyl]oxy-5-[(Z)-1-hydroxy-3-oxo-3-phenylprop-1-enyl]phenyl] 3,5-bis[[3,5-bis(4-carbazol-9-ylbutoxy)phenyl]methoxy]benzoate
CID 102185351
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
2-dodecoxy-9-dodecylcarbazole
CID 15163810
2-octoxy-9-octylcarbazole
CID 15163804
9-octadecyl-2-octoxycarbazole
CID 15163807
2-[11,14,22,26-tetrakis(4-methylphenyl)-6,8,17,19-tetraoxo-18-[2-[3,4,5-tris(4-carbazol-9-ylbutoxy)benzoyl]oxyethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),10,13(23),14,16(24),20-decaen-7-yl]ethyl 3,4,5-tris(4-carbazol-9-ylbutoxy)benzoate
CID 102348939
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
1-[4-(3-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802299
1-(3-methoxypropoxy)-3-methyl-5-phenylmethoxybenzene
CID 59224132
1-[4-(3,5-dimethylphenoxy)butyl]-2-propan-2-ylbenzimidazole
CID 16996565

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole?
The IUPAC name of 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole (CID 59270967) is 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole.
What is the SMILES notation for 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole?
The canonical SMILES for 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole is Cc1cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c2)cc(OCc2cc(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c(OCCCCn3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole?
The InChIKey is FYHRGTHHSSWNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H110N6O8/c1-83-74-86(130-81-84-76-112(124-68-32-26-62-118-100-50-14-2-38-88(100)89-39-3-15-51-101(89)118)116(128-72-36-30-66-122-108-58-22-10-46-96(108)97-47-11-23-59-109(97)122)113(77-84)125-69-33-27-63-119-102-52-16-4-40-90(102)91-41-5-17-53-103(91)119)80-87(75-83)131-82-85-78-114(126-70-34-28-64-120-104-54-18-6-42-92(104)93-43-7-19-55-105(93)120)117(129-73-37-31-67-123-110-60-24-12-48-98(110)99-49-13-25-61-111(99)123)115(79-85)127-71-35-29-65-121-106-56-20-8-44-94(106)95-45-9-21-57-107(95)121/h2-25,38-61,74-80H,26-37,62-73,81-82H2,1H3.
What are the key properties of 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole?
9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole has a molecular weight of 1728.20 g/mol, XLogP of 28.96, 42 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2,3-bis(4-carbazol-9-ylbutoxy)-5-[[3-methyl-5-[[3,4,5-tris(4-carbazol-9-ylbutoxy)phenyl]methoxy]phenoxy]methyl]phenoxy]butyl]carbazole is sourced from PubChem (CID 59270967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).