tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium

C459H396IrN3-3 — CID 59798620

IUPACtris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.[Ir]
InChIInChI=1S/3C153H132N.Ir/c3*1-9-85-150(86-10-2)135-55-33-29-51-123(135)127-80-75-115(95-139(127)150)102-59-67-110(68-60-102)146-131(106-39-21-17-22-40-106)99-133(144(108-43-25-19-26-44-108)148(146)112-71-63-104(64-72-112)117-77-82-129-125-53-31-35-57-137(125)152(89-13-5,90-14-6)141(129)97-117)119-48-37-47-114(93-119)122-79-84-143(154-101-122)121-50-38-49-120(94-121)134-100-132(107-41-23-18-24-42-107)147(111-69-61-103(62-70-111)116-76-81-128-124-52-30-34-56-136(124)151(87-11-3,88-12-4)140(128)96-116)149(145(134)109-45-27-20-28-46-109)113-73-65-105(66-74-113)118-78-83-130-126-54-32-36-58-138(126)153(91-15-7,92-16-8)142(130)98-118;/h3*17-49,51-84,93-101H,9-16,85-92H2,1-8H3;/q3*-1;
InChIKeyHRAJWABWNQLDQR-UHFFFAOYSA-N
MW6146.46 g/mol
LogP129.06
Rot. Bonds96

About tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium

tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium (PubChem CID 59798620) has the molecular formula C459H396IrN3-3 and a molecular weight of 6146.46 g/mol. Its IUPAC name is tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium.

Molecular Properties

Compound Nametris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium
PubChem CID59798620
Molecular FormulaC459H396IrN3-3
Molecular Weight6146.46 g/mol
Exact Mass6142.07
IUPAC Nametris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium
SMILESCCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.[Ir]
InChIInChI=1S/3C153H132N.Ir/c3*1-9-85-150(86-10-2)135-55-33-29-51-123(135)127-80-75-115(95-139(127)150)102-59-67-110(68-60-102)146-131(106-39-21-17-22-40-106)99-133(144(108-43-25-19-26-44-108)148(146)112-71-63-104(64-72-112)117-77-82-129-125-53-31-35-57-137(125)152(89-13-5,90-14-6)141(129)97-117)119-48-37-47-114(93-119)122-79-84-143(154-101-122)121-50-38-49-120(94-121)134-100-132(107-41-23-18-24-42-107)147(111-69-61-103(62-70-111)116-76-81-128-124-52-30-34-56-136(124)151(87-11-3,88-12-4)140(128)96-116)149(145(134)109-45-27-20-28-46-109)113-73-65-105(66-74-113)118-78-83-130-126-54-32-36-58-138(126)153(91-15-7,92-16-8)142(130)98-118;/h3*17-49,51-84,93-101H,9-16,85-92H2,1-8H3;/q3*-1;
InChIKeyHRAJWABWNQLDQR-UHFFFAOYSA-N
XLogP129.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds96
Heavy Atoms463
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006146.46
LogP ≤ 5129.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium with MolForge

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Related Compounds

2-phenyl-9,9-dipropylfluorene
CID 154114384
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
CID 122395424
5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153439051
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153457886
2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
CID 140686916
2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene
CID 123179405
2-[3,6-bis(chloromethyl)-2-phenylphenyl]-9,9-dihexylfluorene
CID 86081477
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375

Frequently Asked Questions

What is the IUPAC name of tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium?
The IUPAC name of tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium (CID 59798620) is tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium.
What is the SMILES notation for tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium?
The canonical SMILES for tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium is CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccccc5)cc(-c5cc[c-]c(-c6ccc(-c7cccc(-c8cc(-c9ccccc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c(-c9ccc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)cc9)c8-c8ccccc8)c7)cn6)c5)c(-c5ccccc5)c4-c4ccc(-c5ccc6c(c5)C(CCC)(CCC)c5ccccc5-6)cc4)cc3)cc21.[Ir].
What is the InChIKey of tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium?
The InChIKey is HRAJWABWNQLDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C153H132N.Ir/c3*1-9-85-150(86-10-2)135-55-33-29-51-123(135)127-80-75-115(95-139(127)150)102-59-67-110(68-60-102)146-131(106-39-21-17-22-40-106)99-133(144(108-43-25-19-26-44-108)148(146)112-71-63-104(64-72-112)117-77-82-129-125-53-31-35-57-137(125)152(89-13-5,90-14-6)141(129)97-117)119-48-37-47-114(93-119)122-79-84-143(154-101-122)121-50-38-49-120(94-121)134-100-132(107-41-23-18-24-42-107)147(111-69-61-103(62-70-111)116-76-81-128-124-52-30-34-56-136(124)151(87-11-3,88-12-4)140(128)96-116)149(145(134)109-45-27-20-28-46-109)113-73-65-105(66-74-113)118-78-83-130-126-54-32-36-58-138(126)153(91-15-7,92-16-8)142(130)98-118;/h3*17-49,51-84,93-101H,9-16,85-92H2,1-8H3;/q3*-1;.
What are the key properties of tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium?
tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium has a molecular weight of 6146.46 g/mol, XLogP of 129.06, 96 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]benzene-6-id-1-yl]-5-[3-[3,4-bis[4-(9,9-dipropylfluoren-2-yl)phenyl]-2,5-diphenylphenyl]phenyl]pyridine);iridium is sourced from PubChem (CID 59798620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).