3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene

C163H201Br2NO7 — CID 123601449

IUPAC3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene
SMILESCCCCCCCCCCOc1ccc(C2(c3ccc(CCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCCCCCCC.CCCCCCCCCCOc1ccc(C2(c3ccc(CCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccc(OCCCCC)c(OCCCCC)c6)c6cc(C)ccc6-7)ccc4n5-c4cc(C)c(OCCCCCCCC)c(C)c4)cc32)cc1OCCCCCCCCCC
InChIInChI=1S/C114H137NO5.C49H64Br2O2/c1-11-17-23-26-29-31-34-41-69-117-109-66-58-94(81-111(109)119-70-42-35-32-30-27-24-18-12-2)114(92-55-49-86(50-56-92)44-22-16-6)103-73-83(8)48-60-97(103)99-62-52-90(79-105(99)114)88-54-64-107-101(77-88)100-76-87(53-63-106(100)115(107)95-74-84(9)112(85(10)75-95)120-71-43-33-28-25-19-13-3)89-51-61-98-96-59-47-82(7)72-102(96)113(104(98)78-89,91-45-37-36-38-46-91)93-57-65-108(116-67-39-20-14-4)110(80-93)118-68-40-21-15-5;1-4-7-10-12-14-16-18-20-33-52-47-32-27-40(35-48(47)53-34-21-19-17-15-13-11-8-5-2)49(39-25-23-38(24-26-39)22-9-6-3)45-36-41(50)28-30-43(45)44-31-29-42(51)37-46(44)49/h36-38,45-66,72-81H,11-35,39-44,67-71H2,1-10H3;23-32,35-37H,4-22,33-34H2,1-3H3
InChIKeyDHEIBWZPCSQKLH-UHFFFAOYSA-N
MW2446.21 g/mol
LogP48.29
Rot. Bonds73

About 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene

3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene (PubChem CID 123601449) has the molecular formula C163H201Br2NO7 and a molecular weight of 2446.21 g/mol. Its IUPAC name is 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene.

Molecular Properties

Compound Name3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene
PubChem CID123601449
Molecular FormulaC163H201Br2NO7
Molecular Weight2446.21 g/mol
Exact Mass2442.38
IUPAC Name3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene
SMILESCCCCCCCCCCOc1ccc(C2(c3ccc(CCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCCCCCCC.CCCCCCCCCCOc1ccc(C2(c3ccc(CCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccc(OCCCCC)c(OCCCCC)c6)c6cc(C)ccc6-7)ccc4n5-c4cc(C)c(OCCCCCCCC)c(C)c4)cc32)cc1OCCCCCCCCCC
InChIInChI=1S/C114H137NO5.C49H64Br2O2/c1-11-17-23-26-29-31-34-41-69-117-109-66-58-94(81-111(109)119-70-42-35-32-30-27-24-18-12-2)114(92-55-49-86(50-56-92)44-22-16-6)103-73-83(8)48-60-97(103)99-62-52-90(79-105(99)114)88-54-64-107-101(77-88)100-76-87(53-63-106(100)115(107)95-74-84(9)112(85(10)75-95)120-71-43-33-28-25-19-13-3)89-51-61-98-96-59-47-82(7)72-102(96)113(104(98)78-89,91-45-37-36-38-46-91)93-57-65-108(116-67-39-20-14-4)110(80-93)118-68-40-21-15-5;1-4-7-10-12-14-16-18-20-33-52-47-32-27-40(35-48(47)53-34-21-19-17-15-13-11-8-5-2)49(39-25-23-38(24-26-39)22-9-6-3)45-36-41(50)28-30-43(45)44-31-29-42(51)37-46(44)49/h36-38,45-66,72-81H,11-35,39-44,67-71H2,1-10H3;23-32,35-37H,4-22,33-34H2,1-3H3
InChIKeyDHEIBWZPCSQKLH-UHFFFAOYSA-N
XLogP48.29
TPSA69.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds73
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002446.21
LogP ≤ 548.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene?
The IUPAC name of 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene (CID 123601449) is 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene.
What is the SMILES notation for 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene?
The canonical SMILES for 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene is CCCCCCCCCCOc1ccc(C2(c3ccc(CCCC)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1OCCCCCCCCCC.CCCCCCCCCCOc1ccc(C2(c3ccc(CCCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C(c6ccccc6)(c6ccc(OCCCCC)c(OCCCCC)c6)c6cc(C)ccc6-7)ccc4n5-c4cc(C)c(OCCCCCCCC)c(C)c4)cc32)cc1OCCCCCCCCCC.
What is the InChIKey of 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene?
The InChIKey is DHEIBWZPCSQKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H137NO5.C49H64Br2O2/c1-11-17-23-26-29-31-34-41-69-117-109-66-58-94(81-111(109)119-70-42-35-32-30-27-24-18-12-2)114(92-55-49-86(50-56-92)44-22-16-6)103-73-83(8)48-60-97(103)99-62-52-90(79-105(99)114)88-54-64-107-101(77-88)100-76-87(53-63-106(100)115(107)95-74-84(9)112(85(10)75-95)120-71-43-33-28-25-19-13-3)89-51-61-98-96-59-47-82(7)72-102(96)113(104(98)78-89,91-45-37-36-38-46-91)93-57-65-108(116-67-39-20-14-4)110(80-93)118-68-40-21-15-5;1-4-7-10-12-14-16-18-20-33-52-47-32-27-40(35-48(47)53-34-21-19-17-15-13-11-8-5-2)49(39-25-23-38(24-26-39)22-9-6-3)45-36-41(50)28-30-43(45)44-31-29-42(51)37-46(44)49/h36-38,45-66,72-81H,11-35,39-44,67-71H2,1-10H3;23-32,35-37H,4-22,33-34H2,1-3H3.
What are the key properties of 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene?
3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene has a molecular weight of 2446.21 g/mol, XLogP of 48.29, 73 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)-7-methylfluoren-2-yl]-9-(3,5-dimethyl-4-octoxyphenyl)-6-[9-(3,4-dipentoxyphenyl)-7-methyl-9-phenylfluoren-2-yl]carbazole;2,7-dibromo-9-(4-butylphenyl)-9-(3,4-didecoxyphenyl)fluorene is sourced from PubChem (CID 123601449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).