N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine

C264H176N8 — CID 159204895

IUPACN-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)cc6c5)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)cc6c5)c4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C100H66N2.C90H60N4.C74H50N2/c1-2-35-80(36-3-1)101(98-49-20-33-73-27-8-14-41-91(73)98)81-55-51-67(52-56-81)68-53-57-82(58-54-68)102(99-50-21-34-74-28-9-15-42-92(74)99)83-65-76(75-61-77(88-43-16-29-69-23-4-10-37-84(69)88)64-78(62-75)89-44-17-30-70-24-5-11-38-85(70)89)63-79(66-83)90-59-60-97(94-46-19-32-72-26-7-13-40-87(72)94)100-95(90)47-22-48-96(100)93-45-18-31-71-25-6-12-39-86(71)93;1-4-26-69(27-5-1)91(75-50-53-89-85(59-75)82-35-14-16-39-87(82)93(89)71-30-8-3-9-31-71)72-46-41-61(42-47-72)62-43-48-73(49-44-62)92(70-28-6-2-7-29-70)76-51-54-90-86(60-76)83-36-15-17-40-88(83)94(90)74-32-18-25-65(57-74)66-45-52-80-67(55-66)56-68(79-37-19-23-63-21-10-12-33-77(63)79)58-84(80)81-38-20-24-64-22-11-13-34-78(64)81;1-2-26-61(27-3-1)75(73-35-15-23-55-19-6-10-31-69(55)73)62-42-37-51(38-43-62)52-39-44-63(45-40-52)76(74-36-16-24-56-20-7-11-32-70(56)74)64-28-12-25-57(49-64)58-41-46-68-59(47-58)48-60(67-33-13-21-53-17-4-8-29-65(53)67)50-72(68)71-34-14-22-54-18-5-9-30-66(54)71/h1-66H;1-60H;1-50H
InChIKeyKPTGQNCMFMDMDD-UHFFFAOYSA-N
MW3460.37 g/mol
LogP74.38
Rot. Bonds35

About N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine

N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine (PubChem CID 159204895) has the molecular formula C264H176N8 and a molecular weight of 3460.37 g/mol. Its IUPAC name is N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
PubChem CID159204895
Molecular FormulaC264H176N8
Molecular Weight3460.37 g/mol
Exact Mass3457.40
IUPAC NameN-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)cc6c5)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)cc6c5)c4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C100H66N2.C90H60N4.C74H50N2/c1-2-35-80(36-3-1)101(98-49-20-33-73-27-8-14-41-91(73)98)81-55-51-67(52-56-81)68-53-57-82(58-54-68)102(99-50-21-34-74-28-9-15-42-92(74)99)83-65-76(75-61-77(88-43-16-29-69-23-4-10-37-84(69)88)64-78(62-75)89-44-17-30-70-24-5-11-38-85(70)89)63-79(66-83)90-59-60-97(94-46-19-32-72-26-7-13-40-87(72)94)100-95(90)47-22-48-96(100)93-45-18-31-71-25-6-12-39-86(71)93;1-4-26-69(27-5-1)91(75-50-53-89-85(59-75)82-35-14-16-39-87(82)93(89)71-30-8-3-9-31-71)72-46-41-61(42-47-72)62-43-48-73(49-44-62)92(70-28-6-2-7-29-70)76-51-54-90-86(60-76)83-36-15-17-40-88(83)94(90)74-32-18-25-65(57-74)66-45-52-80-67(55-66)56-68(79-37-19-23-63-21-10-12-33-77(63)79)58-84(80)81-38-20-24-64-22-11-13-34-78(64)81;1-2-26-61(27-3-1)75(73-35-15-23-55-19-6-10-31-69(55)73)62-42-37-51(38-43-62)52-39-44-63(45-40-52)76(74-36-16-24-56-20-7-11-32-70(56)74)64-28-12-25-57(49-64)58-41-46-68-59(47-58)48-60(67-33-13-21-53-17-4-8-29-65(53)67)50-72(68)71-34-14-22-54-18-5-9-30-66(54)71/h1-66H;1-60H;1-50H
InChIKeyKPTGQNCMFMDMDD-UHFFFAOYSA-N
XLogP74.38
TPSA29.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms272
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003460.37
LogP ≤ 574.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine (CID 159204895) is N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine is c1ccc(N(c2ccc(-c3ccc(N(c4cc(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)cc(-c5ccc(-c6cccc7ccccc67)c6c(-c7cccc8ccccc78)cccc56)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4cccc(-c5ccc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)cc6c5)c4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)cc6c5)c4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is KPTGQNCMFMDMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H66N2.C90H60N4.C74H50N2/c1-2-35-80(36-3-1)101(98-49-20-33-73-27-8-14-41-91(73)98)81-55-51-67(52-56-81)68-53-57-82(58-54-68)102(99-50-21-34-74-28-9-15-42-92(74)99)83-65-76(75-61-77(88-43-16-29-69-23-4-10-37-84(69)88)64-78(62-75)89-44-17-30-70-24-5-11-38-85(70)89)63-79(66-83)90-59-60-97(94-46-19-32-72-26-7-13-40-87(72)94)100-95(90)47-22-48-96(100)93-45-18-31-71-25-6-12-39-86(71)93;1-4-26-69(27-5-1)91(75-50-53-89-85(59-75)82-35-14-16-39-87(82)93(89)71-30-8-3-9-31-71)72-46-41-61(42-47-72)62-43-48-73(49-44-62)92(70-28-6-2-7-29-70)76-51-54-90-86(60-76)83-36-15-17-40-88(83)94(90)74-32-18-25-65(57-74)66-45-52-80-67(55-66)56-68(79-37-19-23-63-21-10-12-33-77(63)79)58-84(80)81-38-20-24-64-22-11-13-34-78(64)81;1-2-26-61(27-3-1)75(73-35-15-23-55-19-6-10-31-69(55)73)62-42-37-51(38-43-62)52-39-44-63(45-40-52)76(74-36-16-24-56-20-7-11-32-70(56)74)64-28-12-25-57(49-64)58-41-46-68-59(47-58)48-60(67-33-13-21-53-17-4-8-29-65(53)67)50-72(68)71-34-14-22-54-18-5-9-30-66(54)71/h1-66H;1-60H;1-50H.
What are the key properties of N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine?
N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 3460.37 g/mol, XLogP of 74.38, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-5-(3,5-dinaphthalen-1-ylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-[9-[3-(5,7-dinaphthalen-1-ylnaphthalen-2-yl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 159204895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).