9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

C132H81F36N9O12 — CID 122546733

IUPAC9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESCc1c(Cn2c3ccc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)cc3c3cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc32)c(C)c(Cn2c3ccc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)cc3c3cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc32)c(C)c1Cn1c2ccc(N(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)cc2c2cc(N(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C132H81F36N9O12/c1-73-112(70-169-115-58-28-88(172(76-4-34-94(35-5-76)178-121(133,134)135)77-6-36-95(37-7-77)179-122(136,137)138)64-106(115)107-65-89(29-59-116(107)169)173(78-8-38-96(39-9-78)180-123(139,140)141)79-10-40-97(41-11-79)181-124(142,143)144)74(2)114(72-171-119-62-32-92(176(84-20-50-102(51-21-84)186-129(157,158)159)85-22-52-103(53-23-85)187-130(160,161)162)68-110(119)111-69-93(33-63-120(111)171)177(86-24-54-104(55-25-86)188-131(163,164)165)87-26-56-105(57-27-87)189-132(166,167)168)75(3)113(73)71-170-117-60-30-90(174(80-12-42-98(43-13-80)182-125(145,146)147)81-14-44-99(45-15-81)183-126(148,149)150)66-108(117)109-67-91(31-61-118(109)170)175(82-16-46-100(47-17-82)184-127(151,152)153)83-18-48-101(49-19-83)185-128(154,155)156/h4-69H,70-72H2,1-3H3
InChIKeyKLOIGJMJHOXCPT-UHFFFAOYSA-N
MW2669.08 g/mol
LogP43.68
Rot. Bonds36

About 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (PubChem CID 122546733) has the molecular formula C132H81F36N9O12 and a molecular weight of 2669.08 g/mol. Its IUPAC name is 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
PubChem CID122546733
Molecular FormulaC132H81F36N9O12
Molecular Weight2669.08 g/mol
Exact Mass2667.54
IUPAC Name9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESCc1c(Cn2c3ccc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)cc3c3cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc32)c(C)c(Cn2c3ccc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)cc3c3cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc32)c(C)c1Cn1c2ccc(N(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)cc2c2cc(N(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C132H81F36N9O12/c1-73-112(70-169-115-58-28-88(172(76-4-34-94(35-5-76)178-121(133,134)135)77-6-36-95(37-7-77)179-122(136,137)138)64-106(115)107-65-89(29-59-116(107)169)173(78-8-38-96(39-9-78)180-123(139,140)141)79-10-40-97(41-11-79)181-124(142,143)144)74(2)114(72-171-119-62-32-92(176(84-20-50-102(51-21-84)186-129(157,158)159)85-22-52-103(53-23-85)187-130(160,161)162)68-110(119)111-69-93(33-63-120(111)171)177(86-24-54-104(55-25-86)188-131(163,164)165)87-26-56-105(57-27-87)189-132(166,167)168)75(3)113(73)71-170-117-60-30-90(174(80-12-42-98(43-13-80)182-125(145,146)147)81-14-44-99(45-15-81)183-126(148,149)150)66-108(117)109-67-91(31-61-118(109)170)175(82-16-46-100(47-17-82)184-127(151,152)153)83-18-48-101(49-19-83)185-128(154,155)156/h4-69H,70-72H2,1-3H3
InChIKeyKLOIGJMJHOXCPT-UHFFFAOYSA-N
XLogP43.68
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002669.08
LogP ≤ 543.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The IUPAC name of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (CID 122546733) is 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is Cc1c(Cn2c3ccc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)cc3c3cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc32)c(C)c(Cn2c3ccc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)cc3c3cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc32)c(C)c1Cn1c2ccc(N(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)cc2c2cc(N(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)ccc21.
What is the InChIKey of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The InChIKey is KLOIGJMJHOXCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H81F36N9O12/c1-73-112(70-169-115-58-28-88(172(76-4-34-94(35-5-76)178-121(133,134)135)77-6-36-95(37-7-77)179-122(136,137)138)64-106(115)107-65-89(29-59-116(107)169)173(78-8-38-96(39-9-78)180-123(139,140)141)79-10-40-97(41-11-79)181-124(142,143)144)74(2)114(72-171-119-62-32-92(176(84-20-50-102(51-21-84)186-129(157,158)159)85-22-52-103(53-23-85)187-130(160,161)162)68-110(119)111-69-93(33-63-120(111)171)177(86-24-54-104(55-25-86)188-131(163,164)165)87-26-56-105(57-27-87)189-132(166,167)168)75(3)113(73)71-170-117-60-30-90(174(80-12-42-98(43-13-80)182-125(145,146)147)81-14-44-99(45-15-81)183-126(148,149)150)66-108(117)109-67-91(31-61-118(109)170)175(82-16-46-100(47-17-82)184-127(151,152)153)83-18-48-101(49-19-83)185-128(154,155)156/h4-69H,70-72H2,1-3H3.
What are the key properties of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine has a molecular weight of 2669.08 g/mol, XLogP of 43.68, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 122546733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).