8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))

C110H70Ir2N6 — CID 153448990

IUPAC8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))
SMILES[Ir+3].[Ir+3].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)c2)cnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)c2)cn1
InChIInChI=1S/C110H70N6.2Ir/c1-7-27-95(89(21-1)73-41-47-101-77(57-73)37-33-69-17-13-53-111-107(69)101)83-61-84(96-28-8-2-22-90(96)74-42-48-102-78(58-74)38-34-70-18-14-54-112-108(70)102)64-87(63-83)99-31-11-5-25-93(99)81-45-51-105(115-67-81)106-52-46-82(68-116-106)94-26-6-12-32-100(94)88-65-85(97-29-9-3-23-91(97)75-43-49-103-79(59-75)39-35-71-19-15-55-113-109(71)103)62-86(66-88)98-30-10-4-24-92(98)76-44-50-104-80(60-76)40-36-72-20-16-56-114-110(72)104;;/h1-32,41-46,53-68H,33-40H2;;/q-6;2*+3
InChIKeyMTNRSEYIIJEVRG-UHFFFAOYSA-N
MW1860.25 g/mol
LogP25.59
Rot. Bonds13

About 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))

8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)) (PubChem CID 153448990) has the molecular formula C110H70Ir2N6 and a molecular weight of 1860.25 g/mol. Its IUPAC name is 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)).

Molecular Properties

Compound Name8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))
PubChem CID153448990
Molecular FormulaC110H70Ir2N6
Molecular Weight1860.25 g/mol
Exact Mass1860.49
IUPAC Name8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))
SMILES[Ir+3].[Ir+3].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)c2)cnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)c2)cn1
InChIInChI=1S/C110H70N6.2Ir/c1-7-27-95(89(21-1)73-41-47-101-77(57-73)37-33-69-17-13-53-111-107(69)101)83-61-84(96-28-8-2-22-90(96)74-42-48-102-78(58-74)38-34-70-18-14-54-112-108(70)102)64-87(63-83)99-31-11-5-25-93(99)81-45-51-105(115-67-81)106-52-46-82(68-116-106)94-26-6-12-32-100(94)88-65-85(97-29-9-3-23-91(97)75-43-49-103-79(59-75)39-35-71-19-15-55-113-109(71)103)62-86(66-88)98-30-10-4-24-92(98)76-44-50-104-80(60-76)40-36-72-20-16-56-114-110(72)104;;/h1-32,41-46,53-68H,33-40H2;;/q-6;2*+3
InChIKeyMTNRSEYIIJEVRG-UHFFFAOYSA-N
XLogP25.59
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001860.25
LogP ≤ 525.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))?
The IUPAC name of 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)) (CID 153448990) is 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)).
What is the SMILES notation for 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))?
The canonical SMILES for 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)) is [Ir+3].[Ir+3].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)c2)cnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)cc(-c3ccccc3-c3c[c-]c4c(c3)CCc3cccnc3-4)c2)cn1.
What is the InChIKey of 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))?
The InChIKey is MTNRSEYIIJEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H70N6.2Ir/c1-7-27-95(89(21-1)73-41-47-101-77(57-73)37-33-69-17-13-53-111-107(69)101)83-61-84(96-28-8-2-22-90(96)74-42-48-102-78(58-74)38-34-70-18-14-54-112-108(70)102)64-87(63-83)99-31-11-5-25-93(99)81-45-51-105(115-67-81)106-52-46-82(68-116-106)94-26-6-12-32-100(94)88-65-85(97-29-9-3-23-91(97)75-43-49-103-79(59-75)39-35-71-19-15-55-113-109(71)103)62-86(66-88)98-30-10-4-24-92(98)76-44-50-104-80(60-76)40-36-72-20-16-56-114-110(72)104;;/h1-32,41-46,53-68H,33-40H2;;/q-6;2*+3.
What are the key properties of 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+))?
8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)) has a molecular weight of 1860.25 g/mol, XLogP of 25.59, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(6,10-dihydro-5H-benzo[h]quinolin-10-id-8-yl)phenyl]phenyl]phenyl]-6,10-dihydro-5H-benzo[h]quinolin-10-ide;bis(iridium(3+)) is sourced from PubChem (CID 153448990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).