9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine

C218H146F12N12 — CID 159533360

IUPAC9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6ccc7ccccc7c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4ccc5ccccc5c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4cccc(-c5ccccc5)c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5c(F)c(F)c(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)ccc32)cc1
InChIInChI=1S/2C74H50F4N4.C70H46F4N4/c1-47-27-33-55(34-28-47)81-65-25-11-9-23-61(65)63-45-59(39-41-67(63)81)79(57-21-13-19-52(43-57)49-15-5-3-6-16-49)54-37-31-51(32-38-54)69-70(75)72(77)74(73(78)71(69)76)80(58-22-14-20-53(44-58)50-17-7-4-8-18-50)60-40-42-68-64(46-60)62-24-10-12-26-66(62)82(68)56-35-29-48(2)30-36-56;1-47-21-31-57(32-22-47)81-65-19-11-9-17-61(65)63-45-59(41-43-67(63)81)79(54-35-25-51(26-36-54)49-13-5-3-6-14-49)55-39-29-53(30-40-55)69-70(75)72(77)74(73(78)71(69)76)80(56-37-27-52(28-38-56)50-15-7-4-8-16-50)60-42-44-68-64(46-60)62-18-10-12-20-66(62)82(68)58-33-23-48(2)24-34-58;1-43-19-27-51(28-20-43)77-61-17-9-7-15-57(61)59-41-55(35-37-63(59)77)75(53-33-23-45-11-3-5-13-48(45)39-53)50-31-25-47(26-32-50)65-66(71)68(73)70(69(74)67(65)72)76(54-34-24-46-12-4-6-14-49(46)40-54)56-36-38-64-60(42-56)58-16-8-10-18-62(58)78(64)52-29-21-44(2)22-30-52/h2*3-46H,1-2H3;3-42H,1-2H3
InChIKeyMDGYVHIKUMUWFJ-UHFFFAOYSA-N
MW3161.63 g/mol
LogP61.96
Rot. Bonds31

About 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine

9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine (PubChem CID 159533360) has the molecular formula C218H146F12N12 and a molecular weight of 3161.63 g/mol. Its IUPAC name is 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine
PubChem CID159533360
Molecular FormulaC218H146F12N12
Molecular Weight3161.63 g/mol
Exact Mass3159.16
IUPAC Name9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine
SMILESCc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6ccc7ccccc7c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4ccc5ccccc5c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4cccc(-c5ccccc5)c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5c(F)c(F)c(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)ccc32)cc1
InChIInChI=1S/2C74H50F4N4.C70H46F4N4/c1-47-27-33-55(34-28-47)81-65-25-11-9-23-61(65)63-45-59(39-41-67(63)81)79(57-21-13-19-52(43-57)49-15-5-3-6-16-49)54-37-31-51(32-38-54)69-70(75)72(77)74(73(78)71(69)76)80(58-22-14-20-53(44-58)50-17-7-4-8-18-50)60-40-42-68-64(46-60)62-24-10-12-26-66(62)82(68)56-35-29-48(2)30-36-56;1-47-21-31-57(32-22-47)81-65-19-11-9-17-61(65)63-45-59(41-43-67(63)81)79(54-35-25-51(26-36-54)49-13-5-3-6-14-49)55-39-29-53(30-40-55)69-70(75)72(77)74(73(78)71(69)76)80(56-37-27-52(28-38-56)50-15-7-4-8-16-50)60-42-44-68-64(46-60)62-18-10-12-20-66(62)82(68)58-33-23-48(2)24-34-58;1-43-19-27-51(28-20-43)77-61-17-9-7-15-57(61)59-41-55(35-37-63(59)77)75(53-33-23-45-11-3-5-13-48(45)39-53)50-31-25-47(26-32-50)65-66(71)68(73)70(69(74)67(65)72)76(54-34-24-46-12-4-6-14-49(46)40-54)56-36-38-64-60(42-56)58-16-8-10-18-62(58)78(64)52-29-21-44(2)22-30-52/h2*3-46H,1-2H3;3-42H,1-2H3
InChIKeyMDGYVHIKUMUWFJ-UHFFFAOYSA-N
XLogP61.96
TPSA49.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms242
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003161.63
LogP ≤ 561.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine (CID 159533360) is 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine is Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6ccc7ccccc7c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4ccc5ccccc5c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5c(F)c(F)c(N(c6cccc(-c7ccccc7)c6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)c4cccc(-c5ccccc5)c4)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5c(F)c(F)c(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccc(C)cc6)c(F)c5F)cc4)ccc32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine?
The InChIKey is MDGYVHIKUMUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C74H50F4N4.C70H46F4N4/c1-47-27-33-55(34-28-47)81-65-25-11-9-23-61(65)63-45-59(39-41-67(63)81)79(57-21-13-19-52(43-57)49-15-5-3-6-16-49)54-37-31-51(32-38-54)69-70(75)72(77)74(73(78)71(69)76)80(58-22-14-20-53(44-58)50-17-7-4-8-18-50)60-40-42-68-64(46-60)62-24-10-12-26-66(62)82(68)56-35-29-48(2)30-36-56;1-47-21-31-57(32-22-47)81-65-19-11-9-17-61(65)63-45-59(41-43-67(63)81)79(54-35-25-51(26-36-54)49-13-5-3-6-14-49)55-39-29-53(30-40-55)69-70(75)72(77)74(73(78)71(69)76)80(56-37-27-52(28-38-56)50-15-7-4-8-16-50)60-42-44-68-64(46-60)62-18-10-12-20-66(62)82(68)58-33-23-48(2)24-34-58;1-43-19-27-51(28-20-43)77-61-17-9-7-15-57(61)59-41-55(35-37-63(59)77)75(53-33-23-45-11-3-5-13-48(45)39-53)50-31-25-47(26-32-50)65-66(71)68(73)70(69(74)67(65)72)76(54-34-24-46-12-4-6-14-49(46)40-54)56-36-38-64-60(42-56)58-16-8-10-18-62(58)78(64)52-29-21-44(2)22-30-52/h2*3-46H,1-2H3;3-42H,1-2H3.
What are the key properties of 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine?
9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine has a molecular weight of 3161.63 g/mol, XLogP of 61.96, 31 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-N-naphthalen-2-yl-N-[4-[2,3,5,6-tetrafluoro-4-[[9-(4-methylphenyl)carbazol-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(3-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-3-phenylanilino)phenyl]phenyl]carbazol-3-amine;9-(4-methylphenyl)-N-(4-phenylphenyl)-N-[4-[2,3,5,6-tetrafluoro-4-(N-[9-(4-methylphenyl)carbazol-3-yl]-4-phenylanilino)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 159533360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).