5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C144H111ClN10O2 — CID 159873975

IUPAC5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESClc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.c1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(Nc2cccc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C72H55N5O.C42H33N3O.C30H23ClN2/c1-10-29-56(30-11-1)73(57-31-12-2-13-32-57)66-49-67(74(58-33-14-3-15-34-58)59-35-16-4-17-36-59)51-68(50-66)77(64-45-26-9-27-46-64)65-47-28-48-71(53-65)78-72-54-69(75(60-37-18-5-19-38-60)61-39-20-6-21-40-61)52-70(55-72)76(62-41-22-7-23-42-62)63-43-24-8-25-44-63;1-6-17-33(18-7-1)43-34-19-16-28-41(29-34)46-42-31-39(44(35-20-8-2-9-21-35)36-22-10-3-11-23-36)30-40(32-42)45(37-24-12-4-13-25-37)38-26-14-5-15-27-38;31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-55H;1-32,43H;1-23H
InChIKeyNSQYJXFJQLLDCE-UHFFFAOYSA-N
MW2048.99 g/mol
LogP42.27
Rot. Bonds33

About 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 159873975) has the molecular formula C144H111ClN10O2 and a molecular weight of 2048.99 g/mol. Its IUPAC name is 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID159873975
Molecular FormulaC144H111ClN10O2
Molecular Weight2048.99 g/mol
Exact Mass2046.86
IUPAC Name5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESClc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.c1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(Nc2cccc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1
InChIInChI=1S/C72H55N5O.C42H33N3O.C30H23ClN2/c1-10-29-56(30-11-1)73(57-31-12-2-13-32-57)66-49-67(74(58-33-14-3-15-34-58)59-35-16-4-17-36-59)51-68(50-66)77(64-45-26-9-27-46-64)65-47-28-48-71(53-65)78-72-54-69(75(60-37-18-5-19-38-60)61-39-20-6-21-40-61)52-70(55-72)76(62-41-22-7-23-42-62)63-43-24-8-25-44-63;1-6-17-33(18-7-1)43-34-19-16-28-41(29-34)46-42-31-39(44(35-20-8-2-9-21-35)36-22-10-3-11-23-36)30-40(32-42)45(37-24-12-4-13-25-37)38-26-14-5-15-27-38;31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-55H;1-32,43H;1-23H
InChIKeyNSQYJXFJQLLDCE-UHFFFAOYSA-N
XLogP42.27
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002048.99
LogP ≤ 542.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 159873975) is 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is Clc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccccc2)c1.c1ccc(N(c2ccccc2)c2cc(Oc3cccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)c4)c3)cc(N(c3ccccc3)c3ccccc3)c2)cc1.c1ccc(Nc2cccc(Oc3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)cc1.
What is the InChIKey of 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is NSQYJXFJQLLDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H55N5O.C42H33N3O.C30H23ClN2/c1-10-29-56(30-11-1)73(57-31-12-2-13-32-57)66-49-67(74(58-33-14-3-15-34-58)59-35-16-4-17-36-59)51-68(50-66)77(64-45-26-9-27-46-64)65-47-28-48-71(53-65)78-72-54-69(75(60-37-18-5-19-38-60)61-39-20-6-21-40-61)52-70(55-72)76(62-41-22-7-23-42-62)63-43-24-8-25-44-63;1-6-17-33(18-7-1)43-34-19-16-28-41(29-34)46-42-31-39(44(35-20-8-2-9-21-35)36-22-10-3-11-23-36)30-40(32-42)45(37-24-12-4-13-25-37)38-26-14-5-15-27-38;31-24-21-29(32(25-13-5-1-6-14-25)26-15-7-2-8-16-26)23-30(22-24)33(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-55H;1-32,43H;1-23H.
What are the key properties of 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 2048.99 g/mol, XLogP of 42.27, 33 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-anilinophenoxy)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;3-N-[3-[3,5-bis(N-phenylanilino)phenoxy]phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine;5-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 159873975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).