1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline

C197H192Br3IN4 — CID 159393596

IUPAC1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline
SMILESBrc1ccc(-c2ccc(I)cc2)c2ccccc12.C.C.C.CCCCCCCCc1ccc2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Br)c5ccccc45)cc3)cc2)c2ccccc12.CCCCCCCCc1ccc2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)c2ccccc12.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Br)c4ccccc34)cc2)cc1.Cc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C70H68BrN.C54H59N.C35H26BrN.C19H17N.C16H10BrI.3CH4/c1-3-5-7-9-11-14-27-56-35-34-53-26-18-19-29-62(53)69(56)70-57(28-15-12-10-8-6-4-2)50-67(64-31-21-23-33-66(64)70)55-40-46-60(47-41-55)72(58-42-36-52(37-43-58)51-24-16-13-17-25-51)59-44-38-54(39-45-59)61-48-49-68(71)65-32-22-20-30-63(61)65;1-3-5-7-9-11-14-25-45-31-30-43-24-18-19-27-49(43)53(45)54-46(26-15-12-10-8-6-4-2)40-52(50-28-20-21-29-51(50)54)44-34-38-48(39-35-44)55-47-36-32-42(33-37-47)41-22-16-13-17-23-41;1-25-11-17-29(18-12-25)37(30-19-13-27(14-20-30)26-7-3-2-4-8-26)31-21-15-28(16-22-31)32-23-24-35(36)34-10-6-5-9-33(32)34;1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16;17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16;;;/h13,16-26,29-50H,3-12,14-15,27-28H2,1-2H3;13,16-24,27-40,55H,3-12,14-15,25-26H2,1-2H3;2-24H,1H3;2-14,20H,1H3;1-10H;3*1H4
InChIKeyLMKWACRNEQNKOQ-UHFFFAOYSA-N
MW2982.35 g/mol
LogP62.30
Rot. Bonds49

About 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline

1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline (PubChem CID 159393596) has the molecular formula C197H192Br3IN4 and a molecular weight of 2982.35 g/mol. Its IUPAC name is 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline.

Molecular Properties

Compound Name1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline
PubChem CID159393596
Molecular FormulaC197H192Br3IN4
Molecular Weight2982.35 g/mol
Exact Mass2977.17
IUPAC Name1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline
SMILESBrc1ccc(-c2ccc(I)cc2)c2ccccc12.C.C.C.CCCCCCCCc1ccc2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Br)c5ccccc45)cc3)cc2)c2ccccc12.CCCCCCCCc1ccc2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)c2ccccc12.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Br)c4ccccc34)cc2)cc1.Cc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C70H68BrN.C54H59N.C35H26BrN.C19H17N.C16H10BrI.3CH4/c1-3-5-7-9-11-14-27-56-35-34-53-26-18-19-29-62(53)69(56)70-57(28-15-12-10-8-6-4-2)50-67(64-31-21-23-33-66(64)70)55-40-46-60(47-41-55)72(58-42-36-52(37-43-58)51-24-16-13-17-25-51)59-44-38-54(39-45-59)61-48-49-68(71)65-32-22-20-30-63(61)65;1-3-5-7-9-11-14-25-45-31-30-43-24-18-19-27-49(43)53(45)54-46(26-15-12-10-8-6-4-2)40-52(50-28-20-21-29-51(50)54)44-34-38-48(39-35-44)55-47-36-32-42(33-37-47)41-22-16-13-17-23-41;1-25-11-17-29(18-12-25)37(30-19-13-27(14-20-30)26-7-3-2-4-8-26)31-21-15-28(16-22-31)32-23-24-35(36)34-10-6-5-9-33(32)34;1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16;17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16;;;/h13,16-26,29-50H,3-12,14-15,27-28H2,1-2H3;13,16-24,27-40,55H,3-12,14-15,25-26H2,1-2H3;2-24H,1H3;2-14,20H,1H3;1-10H;3*1H4
InChIKeyLMKWACRNEQNKOQ-UHFFFAOYSA-N
XLogP62.30
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds49
Heavy Atoms205
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002982.35
LogP ≤ 562.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline with MolForge

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Related Compounds

4-[4-(N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 58233056
N-(4-bromophenyl)-N-[4-[4-[4-[4-(N-(4-bromophenyl)-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-4-phenylaniline
CID 87103295
4-bromo-1-(4-bromo-2-octylnaphthalen-1-yl)-2-octylnaphthalene;N-(4-bromophenyl)-4-[4-(N-(4-bromophenyl)anilino)phenyl]-N-phenylaniline;4-methyl-N-[4-[4-(N-[4-[4-(4-methyl-2-octylnaphthalen-1-yl)-3-octylnaphthalen-1-yl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158040806
4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline
CID 169304138
N-[4-(3-methylpentan-3-yl)phenyl]-N-[4-[4-[4-[4-(N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-4-phenylaniline
CID 122651481
1-bromo-4-iodobenzene;N-[3-[4-[3-(4-bromo-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-2,5-dihexylphenyl]phenyl]-N-(4-bromophenyl)-3-methyl-4-phenylaniline;N-[3-[2,5-dihexyl-4-[3-(3-methyl-4-phenylanilino)phenyl]phenyl]phenyl]-3-methyl-4-phenylaniline
CID 159312368
N-[4-[4-[4-[4-(N-[4-(4-methylheptan-4-yl)phenyl]-4-phenylanilino)phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(3-methylhexan-3-yl)phenyl]-4-phenylaniline
CID 88561759
3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 177093097
7-bromo-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;2-bromo-7-iodo-9,9-dimethylfluorene;molecular iodine;N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 165028912
3-ethyl-N-[4-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-1-yl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
CID 58050735
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 161089163

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline?
The IUPAC name of 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline (CID 159393596) is 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline.
What is the SMILES notation for 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline?
The canonical SMILES for 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline is Brc1ccc(-c2ccc(I)cc2)c2ccccc12.C.C.C.CCCCCCCCc1ccc2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Br)c5ccccc45)cc3)cc2)c2ccccc12.CCCCCCCCc1ccc2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(Nc3ccc(-c4ccccc4)cc3)cc2)c2ccccc12.Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(Br)c4ccccc34)cc2)cc1.Cc1ccc(Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline?
The InChIKey is LMKWACRNEQNKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H68BrN.C54H59N.C35H26BrN.C19H17N.C16H10BrI.3CH4/c1-3-5-7-9-11-14-27-56-35-34-53-26-18-19-29-62(53)69(56)70-57(28-15-12-10-8-6-4-2)50-67(64-31-21-23-33-66(64)70)55-40-46-60(47-41-55)72(58-42-36-52(37-43-58)51-24-16-13-17-25-51)59-44-38-54(39-45-59)61-48-49-68(71)65-32-22-20-30-63(61)65;1-3-5-7-9-11-14-25-45-31-30-43-24-18-19-27-49(43)53(45)54-46(26-15-12-10-8-6-4-2)40-52(50-28-20-21-29-51(50)54)44-34-38-48(39-35-44)55-47-36-32-42(33-37-47)41-22-16-13-17-23-41;1-25-11-17-29(18-12-25)37(30-19-13-27(14-20-30)26-7-3-2-4-8-26)31-21-15-28(16-22-31)32-23-24-35(36)34-10-6-5-9-33(32)34;1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16;17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16;;;/h13,16-26,29-50H,3-12,14-15,27-28H2,1-2H3;13,16-24,27-40,55H,3-12,14-15,25-26H2,1-2H3;2-24H,1H3;2-14,20H,1H3;1-10H;3*1H4.
What are the key properties of 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline?
1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline has a molecular weight of 2982.35 g/mol, XLogP of 62.30, 49 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-iodophenyl)naphthalene;N-[4-(4-bromonaphthalen-1-yl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline;N-[4-(4-bromonaphthalen-1-yl)phenyl]-N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline;methane;4-methyl-N-(4-phenylphenyl)aniline;N-[4-[3-octyl-4-(2-octylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenylaniline is sourced from PubChem (CID 159393596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).