5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)

C150H114Br3IrN6 — CID 140838973

IUPAC5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)
SMILESCC(C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc(-n5c6ccc(Br)cc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc(-n5c6ccc(Br)cc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)c3)c(-c3ccc(-n4c5ccc(Br)cc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)cc3)c2)c1.[Ir+3]
InChIInChI=1S/C150H114Br3N6.Ir/c1-145(2,3)97-64-67-154-136(76-97)91-46-58-112(118(73-91)88-40-52-103(53-41-88)157-139-61-49-100(151)79-124(139)127-82-121-115-34-22-25-37-130(115)148(10,11)133(121)85-142(127)157)109-31-19-16-28-106(109)94-70-95(107-29-17-20-32-110(107)113-59-47-92(137-77-98(65-68-155-137)146(4,5)6)74-119(113)89-42-54-104(55-43-89)158-140-62-50-101(152)80-125(140)128-83-122-116-35-23-26-38-131(116)149(12,13)134(122)86-143(128)158)72-96(71-94)108-30-18-21-33-111(108)114-60-48-93(138-78-99(66-69-156-138)147(7,8)9)75-120(114)90-44-56-105(57-45-90)159-141-63-51-102(153)81-126(141)129-84-123-117-36-24-27-39-132(117)150(14,15)135(123)87-144(129)159;/h16-45,49-87H,1-15H3;/q-3;+3
InChIKeyBJHPJYSZDFKSND-UHFFFAOYSA-N
MW2432.53 g/mol
LogP41.66
Rot. Bonds15

About 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)

5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+) (PubChem CID 140838973) has the molecular formula C150H114Br3IrN6 and a molecular weight of 2432.53 g/mol. Its IUPAC name is 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+).

Molecular Properties

Compound Name5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)
PubChem CID140838973
Molecular FormulaC150H114Br3IrN6
Molecular Weight2432.53 g/mol
Exact Mass2428.63
IUPAC Name5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)
SMILESCC(C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc(-n5c6ccc(Br)cc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc(-n5c6ccc(Br)cc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)c3)c(-c3ccc(-n4c5ccc(Br)cc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)cc3)c2)c1.[Ir+3]
InChIInChI=1S/C150H114Br3N6.Ir/c1-145(2,3)97-64-67-154-136(76-97)91-46-58-112(118(73-91)88-40-52-103(53-41-88)157-139-61-49-100(151)79-124(139)127-82-121-115-34-22-25-37-130(115)148(10,11)133(121)85-142(127)157)109-31-19-16-28-106(109)94-70-95(107-29-17-20-32-110(107)113-59-47-92(137-77-98(65-68-155-137)146(4,5)6)74-119(113)89-42-54-104(55-43-89)158-140-62-50-101(152)80-125(140)128-83-122-116-35-23-26-38-131(116)149(12,13)134(122)86-143(128)158)72-96(71-94)108-30-18-21-33-111(108)114-60-48-93(138-78-99(66-69-156-138)147(7,8)9)75-120(114)90-44-56-105(57-45-90)159-141-63-51-102(153)81-126(141)129-84-123-117-36-24-27-39-132(117)150(14,15)135(123)87-144(129)159;/h16-45,49-87H,1-15H3;/q-3;+3
InChIKeyBJHPJYSZDFKSND-UHFFFAOYSA-N
XLogP41.66
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002432.53
LogP ≤ 541.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iridium(3+);3-phenyl-9-[2-[2-[3-[2-[2-(3-phenylcarbazol-9-yl)-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-4-id-1-yl]carbazole
CID 153319955
3,6-Bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole;3,6-bis(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)phenyl]carbazole;9-[3,5-bis(2-pyridin-2-ylpropan-2-yl)phenyl]-3,6-dimethylcarbazole;9-(4-fluorophenyl)-3,6-dimethylcarbazole;9-[4-(1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-yl)phenyl]-3,6-bis(2-phenylpropan-2-yl)carbazole;9-(3,4,5-trimethylphenyl)-3,6-bis[(2,4,6-trimethylphenyl)methyl]carbazole
CID 157475508
3,6-Bis[2,5-dimethyl-4-(3-methyl-4-pyridinyl)phenyl]-9-ethylcarbazole;3,6-bis[4-(2,4-dimethylphenyl)-2,5-dimethylphenyl]-9-ethylcarbazole;2,7-bis[2,5-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]-9-ethylcarbazole;3-[2,5-dimethyl-4-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole;9-[4-(trifluoromethyl)phenyl]-3-[1-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]cyclohexyl]carbazole
CID 159555924
3-Carbazol-9-yl-9-[2-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]carbazole;9-[2-(2,6-difluorophenyl)-6-methylphenyl]carbazole;9-[2-(3,5-difluoro-4-pyridinyl)-6-methylphenyl]carbazole;7,7-dimethyl-5-[2-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]indeno[2,1-b]carbazole;9-[2-(2,3,4,5,6-pentafluorophenyl)-6-(trifluoromethyl)phenyl]carbazole
CID 159714921
tris(9-(9,9-diethyl-7-pyridin-2-yl-6H-fluoren-6-id-2-yl)carbazole);iridium(3+)
CID 139253806
tris(3-(9,9-diethyl-7-pyridin-2-yl-6H-fluoren-6-id-2-yl)-9-phenylcarbazole);iridium(3+)
CID 139253807
12'-[[2-Bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 162596141
4-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-N,N-bis[4-[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]phenyl]aniline
CID 58151144
N-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58151151
9-(4-Tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole
CID 58151154
N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
CID 58151159
N-[4-[3,6-bis[9-[4-[N-(4-tert-butylphenyl)-4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]anilino]phenyl]fluoren-9-yl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58151161

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)?
The IUPAC name of 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+) (CID 140838973) is 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+).
What is the SMILES notation for 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)?
The canonical SMILES for 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+) is CC(C)(C)c1ccnc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc(-n5c6ccc(Br)cc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C(C)(C)C)ccn5)cc4-c4ccc(-n5c6ccc(Br)cc6c6cc7c(cc65)C(C)(C)c5ccccc5-7)cc4)c3)c(-c3ccc(-n4c5ccc(Br)cc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)cc3)c2)c1.[Ir+3].
What is the InChIKey of 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)?
The InChIKey is BJHPJYSZDFKSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H114Br3N6.Ir/c1-145(2,3)97-64-67-154-136(76-97)91-46-58-112(118(73-91)88-40-52-103(53-41-88)157-139-61-49-100(151)79-124(139)127-82-121-115-34-22-25-37-130(115)148(10,11)133(121)85-142(127)157)109-31-19-16-28-106(109)94-70-95(107-29-17-20-32-110(107)113-59-47-92(137-77-98(65-68-155-137)146(4,5)6)74-119(113)89-42-54-104(55-43-89)158-140-62-50-101(152)80-125(140)128-83-122-116-35-23-26-38-131(116)149(12,13)134(122)86-143(128)158)72-96(71-94)108-30-18-21-33-111(108)114-60-48-93(138-78-99(66-69-156-138)147(7,8)9)75-120(114)90-44-56-105(57-45-90)159-141-63-51-102(153)81-126(141)129-84-123-117-36-24-27-39-132(117)150(14,15)135(123)87-144(129)159;/h16-45,49-87H,1-15H3;/q-3;+3.
What are the key properties of 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+)?
5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+) has a molecular weight of 2432.53 g/mol, XLogP of 41.66, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[2-[3,5-bis[2-[2-[4-(2-bromo-7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-4-(4-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]phenyl]-2-bromo-7,7-dimethylindeno[2,1-b]carbazole;iridium(3+) is sourced from PubChem (CID 140838973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).