N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)

C50H60INP2Pt — CID 139258381

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.I[Pt+].[C-]#Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C38H30N.2C6H15P.HI.Pt/c1-6-25-15-17-26(18-16-25)39(27-19-21-31-29-11-7-9-13-33(29)37(2,3)35(31)23-27)28-20-22-32-30-12-8-10-14-34(30)38(4,5)36(32)24-28;2*1-4-7(5-2)6-3;;/h7-24H,2-5H3;2*4-6H2,1-3H3;1H;/q-1;;;;+2/p-1
InChIKeyXLBXWUBJHZXXKN-UHFFFAOYSA-M
MW1058.97 g/mol
LogP15.65
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)

N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane) (PubChem CID 139258381) has the molecular formula C50H60INP2Pt and a molecular weight of 1058.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane).

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)
PubChem CID139258381
Molecular FormulaC50H60INP2Pt
Molecular Weight1058.97 g/mol
Exact Mass1058.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)
SMILESCCP(CC)CC.CCP(CC)CC.I[Pt+].[C-]#Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C38H30N.2C6H15P.HI.Pt/c1-6-25-15-17-26(18-16-25)39(27-19-21-31-29-11-7-9-13-33(29)37(2,3)35(31)23-27)28-20-22-32-30-12-8-10-14-34(30)38(4,5)36(32)24-28;2*1-4-7(5-2)6-3;;/h7-24H,2-5H3;2*4-6H2,1-3H3;1H;/q-1;;;;+2/p-1
InChIKeyXLBXWUBJHZXXKN-UHFFFAOYSA-M
XLogP15.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001058.97
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]methanethiol
CID 164745620
2-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(2-hydroxyethyl)anilino]phenyl]anilino]phenyl]ethanol
CID 59863805
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883844
4-[bis(9,9-dimethylfluoren-2-yl)amino]benzaldehyde
CID 58098593
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane) (CID 139258381) is N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane).
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane) is CCP(CC)CC.CCP(CC)CC.I[Pt+].[C-]#Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)?
The InChIKey is XLBXWUBJHZXXKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H30N.2C6H15P.HI.Pt/c1-6-25-15-17-26(18-16-25)39(27-19-21-31-29-11-7-9-13-33(29)37(2,3)35(31)23-27)28-20-22-32-30-12-8-10-14-34(30)38(4,5)36(32)24-28;2*1-4-7(5-2)6-3;;/h7-24H,2-5H3;2*4-6H2,1-3H3;1H;/q-1;;;;+2/p-1.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane)?
N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane) has a molecular weight of 1058.97 g/mol, XLogP of 15.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-ethynylphenyl)-9,9-dimethylfluoren-2-amine;iodoplatinum(1+);bis(triethylphosphane) is sourced from PubChem (CID 139258381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).