2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol

C49H48F2N2O2 — CID 123345376

IUPAC2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol
SMILESCC(CCCN(C)Cc1cc(F)cc(CC2CCc3ccccc3-c3ccccc32)c1O)CCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C49H48F2N2O2/c1-32(21-22-35-27-39(51)30-47(49(35)55)53-45-19-9-7-17-43(45)44-18-8-10-20-46(44)53)12-11-25-52(2)31-37-29-38(50)28-36(48(37)54)26-34-24-23-33-13-3-4-14-40(33)42-16-6-5-15-41(34)42/h3-10,13-20,27-30,32,34,54-55H,11-12,21-26,31H2,1-2H3
InChIKeyYJFOSHFQTSKYNA-UHFFFAOYSA-N
MW734.93 g/mol
LogP11.89
Rot. Bonds12

About 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol

2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol (PubChem CID 123345376) has the molecular formula C49H48F2N2O2 and a molecular weight of 734.93 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol.

Molecular Properties

Compound Name2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol
PubChem CID123345376
Molecular FormulaC49H48F2N2O2
Molecular Weight734.93 g/mol
Exact Mass734.37
IUPAC Name2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol
SMILESCC(CCCN(C)Cc1cc(F)cc(CC2CCc3ccccc3-c3ccccc32)c1O)CCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O
InChIInChI=1S/C49H48F2N2O2/c1-32(21-22-35-27-39(51)30-47(49(35)55)53-45-19-9-7-17-43(45)44-18-8-10-20-46(44)53)12-11-25-52(2)31-37-29-38(50)28-36(48(37)54)26-34-24-23-33-13-3-4-14-40(33)42-16-6-5-15-41(34)42/h3-10,13-20,27-30,32,34,54-55H,11-12,21-26,31H2,1-2H3
InChIKeyYJFOSHFQTSKYNA-UHFFFAOYSA-N
XLogP11.89
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.93
LogP ≤ 511.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol with MolForge

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Related Compounds

3-(2,7-di-tert-butyl-9H-carbazol9-yl)-5'-fluoro-3'-methyl-5-(2,4,4trimethylpentan-2-yl)-[1,1'-biphenyl]2,2'-diol
CID 123572932
3-(2,7-di-tert-butyl-9H-carbazol-9-yl)5'-fluoro-5-(2,4,4-trimethylpentan-2-yl)[1,1'-biphenyl]-2,2'-diol
CID 138987021
2-Carbazol-9-yl-6-[[2-[(3-carbazol-9-yl-5-fluoro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-fluorophenol
CID 89955082
1,3-Bis[4-(3,6-ditert-butylcarbazol-9-yl)-2-(3-fluorophenyl)-3-hydroxy-6-(2,4,4-trimethylpentan-2-yl)phenyl]butane-1,3-diol
CID 90286500
2-Carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol
CID 123260645
2-Carbazol-9-yl-4-fluoro-6-pentylphenol
CID 123478334
2,6-Ditert-butyl-4-[2-[3-[[4-[ethyl(2-hydroxyethyl)amino]-2-fluorophenyl]-[4-(1-hydroxypentan-3-ylidene)cyclohexa-2,5-dien-1-ylidene]methyl]-2-phenylindol-1-yl]ethyl]phenol
CID 130323430
2-Carbazol-9-yl-4-fluoro-6-methylphenol
CID 134172184
[4-[[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-phenylindol-3-yl]-[2-fluoro-4-[N-(2-hydroxyethyl)-2,4,6-trimethylanilino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-hydroxyethyl)-(2,4,6-trimethylphenyl)azanium
CID 137200913
2-(3,6-Ditert-butylcarbazol-9-yl)-6-(3,5-difluorophenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 141312031
2-[2,7-Bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-(3-fluoro-5-methylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 141509101
2-Carbazol-9-yl-6-(3-fluorophenyl)-4-methylphenol
CID 141763591

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol?
The IUPAC name of 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol (CID 123345376) is 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol.
What is the SMILES notation for 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol?
The canonical SMILES for 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol is CC(CCCN(C)Cc1cc(F)cc(CC2CCc3ccccc3-c3ccccc32)c1O)CCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O.
What is the InChIKey of 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol?
The InChIKey is YJFOSHFQTSKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48F2N2O2/c1-32(21-22-35-27-39(51)30-47(49(35)55)53-45-19-9-7-17-43(45)44-18-8-10-20-46(44)53)12-11-25-52(2)31-37-29-38(50)28-36(48(37)54)26-34-24-23-33-13-3-4-14-40(33)42-16-6-5-15-41(34)42/h3-10,13-20,27-30,32,34,54-55H,11-12,21-26,31H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol?
2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol has a molecular weight of 734.93 g/mol, XLogP of 11.89, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol is sourced from PubChem (CID 123345376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).