(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol

C59H48N2O — CID 174356389

IUPAC(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccccc1C(O)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C59H48N2O/c1-42-40-50(61(47-24-12-6-13-25-47)48-26-14-7-15-27-48)37-39-51(42)52-28-17-19-31-56(52)59(62,44-34-38-54-53-29-16-18-30-55(53)58(2,3)57(54)41-44)43-32-35-49(36-33-43)60(45-20-8-4-9-21-45)46-22-10-5-11-23-46/h4-41,62H,1-3H3
InChIKeyGUZMBBNZKCBCHJ-UHFFFAOYSA-N
MW801.05 g/mol
LogP15.19
Rot. Bonds10

About (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol

(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol (PubChem CID 174356389) has the molecular formula C59H48N2O and a molecular weight of 801.05 g/mol. Its IUPAC name is (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol.

Molecular Properties

Compound Name(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol
PubChem CID174356389
Molecular FormulaC59H48N2O
Molecular Weight801.05 g/mol
Exact Mass800.38
IUPAC Name(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccccc1C(O)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C59H48N2O/c1-42-40-50(61(47-24-12-6-13-25-47)48-26-14-7-15-27-48)37-39-51(42)52-28-17-19-31-56(52)59(62,44-34-38-54-53-29-16-18-30-55(53)58(2,3)57(54)41-44)43-32-35-49(36-33-43)60(45-20-8-4-9-21-45)46-22-10-5-11-23-46/h4-41,62H,1-3H3
InChIKeyGUZMBBNZKCBCHJ-UHFFFAOYSA-N
XLogP15.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 515.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
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
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-[4-[(E)-2-[4-(N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89067846
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
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-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5,5'-spirobi[benzo[b][1]benzogermole]-3-amine
CID 166025148

Frequently Asked Questions

What is the IUPAC name of (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol?
The IUPAC name of (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol (CID 174356389) is (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol.
What is the SMILES notation for (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol?
The canonical SMILES for (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol is Cc1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccccc1C(O)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.
What is the InChIKey of (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol?
The InChIKey is GUZMBBNZKCBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48N2O/c1-42-40-50(61(47-24-12-6-13-25-47)48-26-14-7-15-27-48)37-39-51(42)52-28-17-19-31-56(52)59(62,44-34-38-54-53-29-16-18-30-55(53)58(2,3)57(54)41-44)43-32-35-49(36-33-43)60(45-20-8-4-9-21-45)46-22-10-5-11-23-46/h4-41,62H,1-3H3.
What are the key properties of (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol?
(9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol has a molecular weight of 801.05 g/mol, XLogP of 15.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9,9-dimethylfluoren-2-yl)-[2-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]-[4-(N-phenylanilino)phenyl]methanol is sourced from PubChem (CID 174356389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).