9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine

C129H77F36N9O12 — CID 122546739

IUPAC9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESFC(F)(F)OC1=CCC(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)C=C1
InChIInChI=1S/C129H77F36N9O12/c130-118(131,132)175-94-31-1-76(2-32-94)169(77-3-33-95(34-4-77)176-119(133,134)135)88-25-55-112-106(64-88)107-65-89(170(78-5-35-96(36-6-78)177-120(136,137)138)79-7-37-97(38-8-79)178-121(139,140)141)26-56-113(107)166(112)70-73-61-74(71-167-114-57-27-90(171(80-9-39-98(40-10-80)179-122(142,143)144)81-11-41-99(42-12-81)180-123(145,146)147)66-108(114)109-67-91(28-58-115(109)167)172(82-13-43-100(44-14-82)181-124(148,149)150)83-15-45-101(46-16-83)182-125(151,152)153)63-75(62-73)72-168-116-59-29-92(173(84-17-47-102(48-18-84)183-126(154,155)156)85-19-49-103(50-20-85)184-127(157,158)159)68-110(116)111-69-93(30-60-117(111)168)174(86-21-51-104(52-22-86)185-128(160,161)162)87-23-53-105(54-24-87)186-129(163,164)165/h1-23,25-69,87H,24,70-72H2
InChIKeyDLOOSAGOOCUUPH-UHFFFAOYSA-N
MW2629.01 g/mol
LogP42.28
Rot. Bonds36

About 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (PubChem CID 122546739) has the molecular formula C129H77F36N9O12 and a molecular weight of 2629.01 g/mol. Its IUPAC name is 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
PubChem CID122546739
Molecular FormulaC129H77F36N9O12
Molecular Weight2629.01 g/mol
Exact Mass2627.51
IUPAC Name9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
SMILESFC(F)(F)OC1=CCC(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)C=C1
InChIInChI=1S/C129H77F36N9O12/c130-118(131,132)175-94-31-1-76(2-32-94)169(77-3-33-95(34-4-77)176-119(133,134)135)88-25-55-112-106(64-88)107-65-89(170(78-5-35-96(36-6-78)177-120(136,137)138)79-7-37-97(38-8-79)178-121(139,140)141)26-56-113(107)166(112)70-73-61-74(71-167-114-57-27-90(171(80-9-39-98(40-10-80)179-122(142,143)144)81-11-41-99(42-12-81)180-123(145,146)147)66-108(114)109-67-91(28-58-115(109)167)172(82-13-43-100(44-14-82)181-124(148,149)150)83-15-45-101(46-16-83)182-125(151,152)153)63-75(62-73)72-168-116-59-29-92(173(84-17-47-102(48-18-84)183-126(154,155)156)85-19-49-103(50-20-85)184-127(157,158)159)68-110(116)111-69-93(30-60-117(111)168)174(86-21-51-104(52-22-86)185-128(160,161)162)87-23-53-105(54-24-87)186-129(163,164)165/h1-23,25-69,87H,24,70-72H2
InChIKeyDLOOSAGOOCUUPH-UHFFFAOYSA-N
XLogP42.28
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002629.01
LogP ≤ 542.28
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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine with MolForge

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Related Compounds

N-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]-4-(trifluoromethoxy)aniline
CID 1893154
9-ethyl-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 154717251
(2-{3,6-Bis[bis(4-methoxyphenyl)amino]-9h-carbazol-9-yl}ethyl)phosphonic acid
CID 157868134
1-[[4-(Trifluoromethoxy)phenyl]methyl]-6-[1-[[4-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851718
1-[[3-(Trifluoromethoxy)phenyl]methyl]-6-[1-[[3-(trifluoromethoxy)phenyl]methyl]indol-6-yl]indole
CID 56851724
9-[3-[5-(5-Carbazol-9-yl-2-methoxyphenyl)-2,4-difluorophenyl]-4-nitrophenyl]carbazole
CID 59147408
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59381381
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59381416
3-N,6-N-diphenyl-3-N,6-N,9-tris[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582206
3-N,6-N,9-triphenyl-3-N,6-N-bis[4-(1,2,2-trifluoroethenoxy)phenyl]carbazole-3,6-diamine
CID 59582226
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720542
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-(9-phenylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine
CID 59720546

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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine (CID 122546739) is 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is FC(F)(F)OC1=CCC(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)cc(Cn3c4ccc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)cc4c4cc(N(c5ccc(OC(F)(F)F)cc5)c5ccc(OC(F)(F)F)cc5)ccc43)c2)C=C1.
What is the InChIKey of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine?
The InChIKey is DLOOSAGOOCUUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H77F36N9O12/c130-118(131,132)175-94-31-1-76(2-32-94)169(77-3-33-95(34-4-77)176-119(133,134)135)88-25-55-112-106(64-88)107-65-89(170(78-5-35-96(36-6-78)177-120(136,137)138)79-7-37-97(38-8-79)178-121(139,140)141)26-56-113(107)166(112)70-73-61-74(71-167-114-57-27-90(171(80-9-39-98(40-10-80)179-122(142,143)144)81-11-41-99(42-12-81)180-123(145,146)147)66-108(114)109-67-91(28-58-115(109)167)172(82-13-43-100(44-14-82)181-124(148,149)150)83-15-45-101(46-16-83)182-125(151,152)153)63-75(62-73)72-168-116-59-29-92(173(84-17-47-102(48-18-84)183-126(154,155)156)85-19-49-103(50-20-85)184-127(157,158)159)68-110(116)111-69-93(30-60-117(111)168)174(86-21-51-104(52-22-86)185-128(160,161)162)87-23-53-105(54-24-87)186-129(163,164)165/h1-23,25-69,87H,24,70-72H2.
What are the key properties of 9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine has a molecular weight of 2629.01 g/mol, XLogP of 42.28, 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]phenyl]methyl]-3-N-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 122546739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).