14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine

C131H80F33N9O12 — CID 146651632

IUPAC14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine
SMILESCOc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2c(C)c(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)c3c(c2C)Cn2c4ccc(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)cc-3c42)cc1
InChIInChI=1S/C131H80F33N9O12/c1-72-111(69-165-114-57-28-86(168(74-4-33-92(174-3)34-5-74)75-6-35-93(36-7-75)175-121(132,133)134)62-104(114)105-63-87(29-58-115(105)165)169(76-8-37-94(38-9-76)176-122(135,136)137)77-10-39-95(40-11-77)177-123(138,139)140)73(2)113-71-167-118-61-32-90(172(82-20-49-100(50-21-82)182-128(153,154)155)83-22-51-101(52-23-83)183-129(156,157)158)66-108(118)109-67-91(173(84-24-53-102(54-25-84)184-130(159,160)161)85-26-55-103(56-27-85)185-131(162,163)164)68-110(120(109)167)119(113)112(72)70-166-116-59-30-88(170(78-12-41-96(42-13-78)178-124(141,142)143)79-14-43-97(44-15-79)179-125(144,145)146)64-106(116)107-65-89(31-60-117(107)166)171(80-16-45-98(46-17-80)180-126(147,148)149)81-18-47-99(48-19-81)181-127(150,151)152/h4-68H,69-71H2,1-3H3
InChIKeyWAEGYDABPBKBKJ-UHFFFAOYSA-N
MW2599.07 g/mol
LogP42.46
Rot. Bonds34

About 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine

14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine (PubChem CID 146651632) has the molecular formula C131H80F33N9O12 and a molecular weight of 2599.07 g/mol. Its IUPAC name is 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine.

Molecular Properties

Compound Name14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine
PubChem CID146651632
Molecular FormulaC131H80F33N9O12
Molecular Weight2599.07 g/mol
Exact Mass2597.54
IUPAC Name14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine
SMILESCOc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2c(C)c(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)c3c(c2C)Cn2c4ccc(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)cc-3c42)cc1
InChIInChI=1S/C131H80F33N9O12/c1-72-111(69-165-114-57-28-86(168(74-4-33-92(174-3)34-5-74)75-6-35-93(36-7-75)175-121(132,133)134)62-104(114)105-63-87(29-58-115(105)165)169(76-8-37-94(38-9-76)176-122(135,136)137)77-10-39-95(40-11-77)177-123(138,139)140)73(2)113-71-167-118-61-32-90(172(82-20-49-100(50-21-82)182-128(153,154)155)83-22-51-101(52-23-83)183-129(156,157)158)66-108(118)109-67-91(173(84-24-53-102(54-25-84)184-130(159,160)161)85-26-55-103(56-27-85)185-131(162,163)164)68-110(120(109)167)119(113)112(72)70-166-116-59-30-88(170(78-12-41-96(42-13-78)178-124(141,142)143)79-14-43-97(44-15-79)179-125(144,145)146)64-106(116)107-65-89(31-60-117(107)166)171(80-16-45-98(46-17-80)180-126(147,148)149)81-18-47-99(48-19-81)181-127(150,151)152/h4-68H,69-71H2,1-3H3
InChIKeyWAEGYDABPBKBKJ-UHFFFAOYSA-N
XLogP42.46
TPSA144.99 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.07
LogP ≤ 542.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine?
The IUPAC name of 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine (CID 146651632) is 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine.
What is the SMILES notation for 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine?
The canonical SMILES for 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine is COc1ccc(N(c2ccc(OC(F)(F)F)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC(F)(F)F)cc4)c4ccc(OC(F)(F)F)cc4)ccc2n3Cc2c(C)c(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)c3c(c2C)Cn2c4ccc(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)cc-3c42)cc1.
What is the InChIKey of 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine?
The InChIKey is WAEGYDABPBKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H80F33N9O12/c1-72-111(69-165-114-57-28-86(168(74-4-33-92(174-3)34-5-74)75-6-35-93(36-7-75)175-121(132,133)134)62-104(114)105-63-87(29-58-115(105)165)169(76-8-37-94(38-9-76)176-122(135,136)137)77-10-39-95(40-11-77)177-123(138,139)140)73(2)113-71-167-118-61-32-90(172(82-20-49-100(50-21-82)182-128(153,154)155)83-22-51-101(52-23-83)183-129(156,157)158)66-108(118)109-67-91(173(84-24-53-102(54-25-84)184-130(159,160)161)85-26-55-103(56-27-85)185-131(162,163)164)68-110(120(109)167)119(113)112(72)70-166-116-59-30-88(170(78-12-41-96(42-13-78)178-124(141,142)143)79-14-43-97(44-15-79)179-125(144,145)146)64-106(116)107-65-89(31-60-117(107)166)171(80-16-45-98(46-17-80)180-126(147,148)149)81-18-47-99(48-19-81)181-127(150,151)152/h4-68H,69-71H2,1-3H3.
What are the key properties of 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine?
14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine has a molecular weight of 2599.07 g/mol, XLogP of 42.46, 34 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-16-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-15,17-dimethyl-5-N,5-N,10-N,10-N-tetrakis[4-(trifluoromethoxy)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene-5,10-diamine is sourced from PubChem (CID 146651632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).