4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine

C228H164N6 — CID 157328578

IUPAC4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C78H56N2.C72H52N2/c1-8-22-57(23-9-1)61-36-45-69(46-37-61)79(70-47-38-62(39-48-70)58-24-10-2-11-25-58)77-55-75(67-34-20-7-21-35-67)76(68-44-53-73(65-30-16-5-17-31-65)74(54-68)66-32-18-6-19-33-66)56-78(77)80(71-49-40-63(41-50-71)59-26-12-3-13-27-59)72-51-42-64(43-52-72)60-28-14-4-15-29-60;1-7-19-57(20-8-1)63-31-35-69(36-32-63)75-55-77(79(71-47-39-65(40-48-71)59-23-11-3-12-24-59)72-49-41-66(42-50-72)60-25-13-4-14-26-60)78(56-76(75)70-37-33-64(34-38-70)58-21-9-2-10-22-58)80(73-51-43-67(44-52-73)61-27-15-5-16-28-61)74-53-45-68(46-54-74)62-29-17-6-18-30-62;1-7-19-53(20-8-1)58-31-33-64(34-32-58)70-52-72(74(67-47-39-61(40-48-67)56-25-13-4-14-26-56)68-49-41-62(42-50-68)57-27-15-5-16-28-57)71(51-69(70)63-29-17-6-18-30-63)73(65-43-35-59(36-44-65)54-21-9-2-10-22-54)66-45-37-60(38-46-66)55-23-11-3-12-24-55/h2*1-56H;1-52H
InChIKeyBFAAYCREWXEAIP-UHFFFAOYSA-N
MW2987.86 g/mol
LogP64.22
Rot. Bonds41

About 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine

4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine (PubChem CID 157328578) has the molecular formula C228H164N6 and a molecular weight of 2987.86 g/mol. Its IUPAC name is 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine
PubChem CID157328578
Molecular FormulaC228H164N6
Molecular Weight2987.86 g/mol
Exact Mass2985.30
IUPAC Name4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine
SMILESc1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C78H56N2.C72H52N2/c1-8-22-57(23-9-1)61-36-45-69(46-37-61)79(70-47-38-62(39-48-70)58-24-10-2-11-25-58)77-55-75(67-34-20-7-21-35-67)76(68-44-53-73(65-30-16-5-17-31-65)74(54-68)66-32-18-6-19-33-66)56-78(77)80(71-49-40-63(41-50-71)59-26-12-3-13-27-59)72-51-42-64(43-52-72)60-28-14-4-15-29-60;1-7-19-57(20-8-1)63-31-35-69(36-32-63)75-55-77(79(71-47-39-65(40-48-71)59-23-11-3-12-24-59)72-49-41-66(42-50-72)60-25-13-4-14-26-60)78(56-76(75)70-37-33-64(34-38-70)58-21-9-2-10-22-58)80(73-51-43-67(44-52-73)61-27-15-5-16-28-61)74-53-45-68(46-54-74)62-29-17-6-18-30-62;1-7-19-53(20-8-1)58-31-33-64(34-32-58)70-52-72(74(67-47-39-61(40-48-67)56-25-13-4-14-26-56)68-49-41-62(42-50-68)57-27-15-5-16-28-57)71(51-69(70)63-29-17-6-18-30-63)73(65-43-35-59(36-44-65)54-21-9-2-10-22-54)66-45-37-60(38-46-66)55-23-11-3-12-24-55/h2*1-56H;1-52H
InChIKeyBFAAYCREWXEAIP-UHFFFAOYSA-N
XLogP64.22
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds41
Heavy Atoms234
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002987.86
LogP ≤ 564.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine with MolForge

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Related Compounds

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1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
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4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
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2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
4-[4-(3,5-diphenylphenyl)-3-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
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N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665045
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
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N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine (CID 157328578) is 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine is c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine?
The InChIKey is BFAAYCREWXEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H56N2.C72H52N2/c1-8-22-57(23-9-1)61-36-45-69(46-37-61)79(70-47-38-62(39-48-70)58-24-10-2-11-25-58)77-55-75(67-34-20-7-21-35-67)76(68-44-53-73(65-30-16-5-17-31-65)74(54-68)66-32-18-6-19-33-66)56-78(77)80(71-49-40-63(41-50-71)59-26-12-3-13-27-59)72-51-42-64(43-52-72)60-28-14-4-15-29-60;1-7-19-57(20-8-1)63-31-35-69(36-32-63)75-55-77(79(71-47-39-65(40-48-71)59-23-11-3-12-24-59)72-49-41-66(42-50-72)60-25-13-4-14-26-60)78(56-76(75)70-37-33-64(34-38-70)58-21-9-2-10-22-58)80(73-51-43-67(44-52-73)61-27-15-5-16-28-61)74-53-45-68(46-54-74)62-29-17-6-18-30-62;1-7-19-53(20-8-1)58-31-33-64(34-32-58)70-52-72(74(67-47-39-61(40-48-67)56-25-13-4-14-26-56)68-49-41-62(42-50-68)57-27-15-5-16-28-57)71(51-69(70)63-29-17-6-18-30-63)73(65-43-35-59(36-44-65)54-21-9-2-10-22-54)66-45-37-60(38-46-66)55-23-11-3-12-24-55/h2*1-56H;1-52H.
What are the key properties of 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine?
4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine has a molecular weight of 2987.86 g/mol, XLogP of 64.22, 41 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diphenylphenyl)-5-phenyl-1-N,1-N,2-N,2-N-tetrakis(4-phenylphenyl)benzene-1,2-diamine;1-N,1-N,2-N,2-N,4,5-hexakis(4-phenylphenyl)benzene-1,2-diamine;4-phenyl-1-N,1-N,2-N,2-N,5-pentakis(4-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 157328578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).