1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium

C162H143Br10IrN7-2 — CID 159749297

IUPAC1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium
SMILESBrc1cc(Br)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.Brc1cc(Br)cc(C=C2c3ccccc3-c3ccccc32)c1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1c(-c2ccc(Br)cc2)cccc1-c1ccc(Br)cc1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.[Ir]
InChIInChI=1S/C42H46Br2N2.C37H36N.C27H25Br2N3.C20H12Br2.C19H14Br2.C17H10Br2N.Ir/c1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;1-36(2,3)33-17-13-26(14-18-33)30-23-31(27-15-19-34(20-16-27)37(4,5)6)25-32(24-30)28-10-9-11-29(22-28)35-12-7-8-21-38-35;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22;21-14-9-13(10-15(22)12-14)11-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-13-18(14-5-9-16(20)10-6-14)3-2-4-19(13)15-7-11-17(21)12-8-15;18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;/h11-26H,1-10H3;7-10,12-25H,1-6H3;7-18H,2-6H2,1H3;1-12H;2-12H,1H3;1-4,6-11H;/q;-1;;;;-1;
InChIKeyFPTPJADBKPDVSD-UHFFFAOYSA-N
MW3179.23 g/mol
LogP52.02
Rot. Bonds23

About 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium (PubChem CID 159749297) has the molecular formula C162H143Br10IrN7-2 and a molecular weight of 3179.23 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium.

Molecular Properties

Compound Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium
PubChem CID159749297
Molecular FormulaC162H143Br10IrN7-2
Molecular Weight3179.23 g/mol
Exact Mass3168.29
IUPAC Name1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium
SMILESBrc1cc(Br)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.Brc1cc(Br)cc(C=C2c3ccccc3-c3ccccc32)c1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1c(-c2ccc(Br)cc2)cccc1-c1ccc(Br)cc1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.[Ir]
InChIInChI=1S/C42H46Br2N2.C37H36N.C27H25Br2N3.C20H12Br2.C19H14Br2.C17H10Br2N.Ir/c1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;1-36(2,3)33-17-13-26(14-18-33)30-23-31(27-15-19-34(20-16-27)37(4,5)6)25-32(24-30)28-10-9-11-29(22-28)35-12-7-8-21-38-35;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22;21-14-9-13(10-15(22)12-14)11-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-13-18(14-5-9-16(20)10-6-14)3-2-4-19(13)15-7-11-17(21)12-8-15;18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;/h11-26H,1-10H3;7-10,12-25H,1-6H3;7-18H,2-6H2,1H3;1-12H;2-12H,1H3;1-4,6-11H;/q;-1;;;;-1;
InChIKeyFPTPJADBKPDVSD-UHFFFAOYSA-N
XLogP52.02
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds23
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003179.23
LogP ≤ 552.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium with MolForge

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Related Compounds

2,4-Bis(4-tert-butylphenyl)-6-[6-[3-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58280811
3',6'-Dibromo-16-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 68203461
7-Bromo-5'-(1,3,5-triazin-2-yl)spiro[indeno[1,2-b]pyridine-5,7'-indeno[2,1-b]carbazole]
CID 122587905
2-[4-(5-Bromo-9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;3-(4-bromo-3-phenylphenyl)pyridine;ethane
CID 142417700
2-[3-Bromo-5-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;(9,9-dimethylfluoren-2-yl)boronic acid;2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;(4-pyridin-2-ylphenyl)boronic acid
CID 157114405
2-(7-Bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;bis(2-bromo-4-phenylpyrido[2,3-d]pyrimidine)
CID 157285178
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
CID 157377144
2-(7-Bromo-9,9-dimethylfluoren-2-yl)-4-phenylquinazoline;2-bromo-4-(2,3,4,5,6-pentadeuteriophenyl)quinazoline;2-(4-bromophenyl)-4-phenylquinazoline;2-bromo-4-phenylpyrido[2,3-d]pyrimidine;2-bromo-4-phenylquinazoline
CID 157848534
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene
CID 158092105
2-(4-Bromophenyl)-4-(9,9-dimethylfluoren-2-yl)pyrido[2,3-d]pyrimidine;2-(4-bromophenyl)-4-(3,5-diphenylphenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)pyrido[2,3-d]pyrimidine;2-(3-bromophenyl)-4-phenylpyrido[2,3-d]pyrimidine
CID 158215999
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,7-dimethyl-9,9-dioctylfluorene;iridium
CID 158435991
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane
CID 159223541

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium?
The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium (CID 159749297) is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium.
What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium?
The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium is Brc1cc(Br)cc(-c2cc[c-]c(-c3ccccn3)c2)c1.Brc1cc(Br)cc(C=C2c3ccccc3-c3ccccc32)c1.CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.Cc1c(-c2ccc(Br)cc2)cccc1-c1ccc(Br)cc1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.[Ir].
What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium?
The InChIKey is FPTPJADBKPDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46Br2N2.C37H36N.C27H25Br2N3.C20H12Br2.C19H14Br2.C17H10Br2N.Ir/c1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;1-36(2,3)33-17-13-26(14-18-33)30-23-31(27-15-19-34(20-16-27)37(4,5)6)25-32(24-30)28-10-9-11-29(22-28)35-12-7-8-21-38-35;1-2-3-4-5-6-19-7-9-20(10-8-19)25-30-26(21-11-15-23(28)16-12-21)32-27(31-25)22-13-17-24(29)18-14-22;21-14-9-13(10-15(22)12-14)11-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-13-18(14-5-9-16(20)10-6-14)3-2-4-19(13)15-7-11-17(21)12-8-15;18-15-9-14(10-16(19)11-15)12-4-3-5-13(8-12)17-6-1-2-7-20-17;/h11-26H,1-10H3;7-10,12-25H,1-6H3;7-18H,2-6H2,1H3;1-12H;2-12H,1H3;1-4,6-11H;/q;-1;;;;-1;.
What are the key properties of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium?
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium has a molecular weight of 3179.23 g/mol, XLogP of 52.02, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-hexylphenyl)-1,3,5-triazine;1,3-bis(4-bromophenyl)-2-methylbenzene;2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-(3,5-dibromophenyl)benzene-6-id-1-yl]pyridine;9-[(3,5-dibromophenyl)methylidene]fluorene;iridium is sourced from PubChem (CID 159749297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).