9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine

C58H44N2 — CID 118004667

IUPAC9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2cc(C3(c4ccccc4)c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc43)ccc21
InChIInChI=1S/C58H44N2/c1-57(2)51-34-20-18-32-48(51)50-38-42(36-37-52(50)57)58(41-22-8-3-9-23-41)53-35-21-19-33-49(53)56-54(58)39-47(59(43-24-10-4-11-25-43)44-26-12-5-13-27-44)40-55(56)60(45-28-14-6-15-29-45)46-30-16-7-17-31-46/h3-40H,1-2H3
InChIKeyIZXZTUNAUSXVRH-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.30
Rot. Bonds8

About 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine

9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine (PubChem CID 118004667) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
PubChem CID118004667
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2cc(C3(c4ccccc4)c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc43)ccc21
InChIInChI=1S/C58H44N2/c1-57(2)51-34-20-18-32-48(51)50-38-42(36-37-52(50)57)58(41-22-8-3-9-23-41)53-35-21-19-33-49(53)56-54(58)39-47(59(43-24-10-4-11-25-43)44-26-12-5-13-27-44)40-55(56)60(45-28-14-6-15-29-45)46-30-16-7-17-31-46/h3-40H,1-2H3
InChIKeyIZXZTUNAUSXVRH-UHFFFAOYSA-N
XLogP15.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
CID 170410184
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
2-N,2-N,4-N,4-N,9-pentakis-phenyl-9-(9-phenylcarbazol-3-yl)fluorene-2,4-diamine
CID 118204439
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-N,9,9-triphenylfluoren-2-amine;N-(2,6-diphenylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-4-amine
CID 159993997
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)fluoren-3-amine
CID 140919922
2-N,2-N,4-N,4-N,7,9,9-heptakis-phenylfluorene-2,4-diamine
CID 165158463

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine (CID 118004667) is 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine is CC1(C)c2ccccc2-c2cc(C3(c4ccccc4)c4ccccc4-c4c(N(c5ccccc5)c5ccccc5)cc(N(c5ccccc5)c5ccccc5)cc43)ccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine?
The InChIKey is IZXZTUNAUSXVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)51-34-20-18-32-48(51)50-38-42(36-37-52(50)57)58(41-22-8-3-9-23-41)53-35-21-19-33-49(53)56-54(58)39-47(59(43-24-10-4-11-25-43)44-26-12-5-13-27-44)40-55(56)60(45-28-14-6-15-29-45)46-30-16-7-17-31-46/h3-40H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine?
9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine has a molecular weight of 769.00 g/mol, XLogP of 15.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine is sourced from PubChem (CID 118004667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).