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

C88H64F12N6O8 — CID 134215672

IUPAC9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(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)cc2)cc1
InChIInChI=1S/C88H64F12N6O8/c1-107-69-29-9-57(10-30-69)103(58-11-31-70(108-2)32-12-58)65-25-45-81-77(49-65)78-50-66(104(59-13-33-71(109-3)34-14-59)60-15-35-72(110-4)36-16-60)26-46-82(78)101(81)53-55-5-7-56(8-6-55)54-102-83-47-27-67(105(61-17-37-73(38-18-61)111-85(89,90)91)62-19-39-74(40-20-62)112-86(92,93)94)51-79(83)80-52-68(28-48-84(80)102)106(63-21-41-75(42-22-63)113-87(95,96)97)64-23-43-76(44-24-64)114-88(98,99)100/h5-52H,53-54H2,1-4H3
InChIKeyLZGKBKIERSVCIB-UHFFFAOYSA-N
MW1561.49 g/mol
LogP25.51
Rot. Bonds24

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

9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (PubChem CID 134215672) has the molecular formula C88H64F12N6O8 and a molecular weight of 1561.49 g/mol. Its IUPAC name is 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
PubChem CID134215672
Molecular FormulaC88H64F12N6O8
Molecular Weight1561.49 g/mol
Exact Mass1560.46
IUPAC Name9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(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)cc2)cc1
InChIInChI=1S/C88H64F12N6O8/c1-107-69-29-9-57(10-30-69)103(58-11-31-70(108-2)32-12-58)65-25-45-81-77(49-65)78-50-66(104(59-13-33-71(109-3)34-14-59)60-15-35-72(110-4)36-16-60)26-46-82(78)101(81)53-55-5-7-56(8-6-55)54-102-83-47-27-67(105(61-17-37-73(38-18-61)111-85(89,90)91)62-19-39-74(40-20-62)112-86(92,93)94)51-79(83)80-52-68(28-48-84(80)102)106(63-21-41-75(42-22-63)113-87(95,96)97)64-23-43-76(44-24-64)114-88(98,99)100/h5-52H,53-54H2,1-4H3
InChIKeyLZGKBKIERSVCIB-UHFFFAOYSA-N
XLogP25.51
TPSA96.66 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001561.49
LogP ≤ 525.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The IUPAC name of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine (CID 134215672) is 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine.
What is the SMILES notation for 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The canonical SMILES for 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2n3Cc2ccc(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)cc2)cc1.
What is the InChIKey of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
The InChIKey is LZGKBKIERSVCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H64F12N6O8/c1-107-69-29-9-57(10-30-69)103(58-11-31-70(108-2)32-12-58)65-25-45-81-77(49-65)78-50-66(104(59-13-33-71(109-3)34-14-59)60-15-35-72(110-4)36-16-60)26-46-82(78)101(81)53-55-5-7-56(8-6-55)54-102-83-47-27-67(105(61-17-37-73(38-18-61)111-85(89,90)91)62-19-39-74(40-20-62)112-86(92,93)94)51-79(83)80-52-68(28-48-84(80)102)106(63-21-41-75(42-22-63)113-87(95,96)97)64-23-43-76(44-24-64)114-88(98,99)100/h5-52H,53-54H2,1-4H3.
What are the key properties of 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine?
9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine has a molecular weight of 1561.49 g/mol, XLogP of 25.51, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine is sourced from PubChem (CID 134215672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).