2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine

C57H48N2 — CID 170410184

IUPAC2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C57H48N2/c1-55(2)47-26-16-13-23-42(47)45-33-39(29-31-50(45)55)58(37-19-9-7-10-20-37)41-35-52-54(44-25-15-18-28-49(44)57(52,5)6)53(36-41)59(38-21-11-8-12-22-38)40-30-32-51-46(34-40)43-24-14-17-27-48(43)56(51,3)4/h7-36H,1-6H3
InChIKeyVIMRJPBBARLDQE-UHFFFAOYSA-N
MW761.03 g/mol
LogP15.55
Rot. Bonds6

About 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine

2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine (PubChem CID 170410184) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
PubChem CID170410184
Molecular FormulaC57H48N2
Molecular Weight761.03 g/mol
Exact Mass760.38
IUPAC Name2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4c(c3)C(C)(C)c3ccccc3-4)ccc21
InChIInChI=1S/C57H48N2/c1-55(2)47-26-16-13-23-42(47)45-33-39(29-31-50(45)55)58(37-19-9-7-10-20-37)41-35-52-54(44-25-15-18-28-49(44)57(52,5)6)53(36-41)59(38-21-11-8-12-22-38)40-30-32-51-46(34-40)43-24-14-17-27-48(43)56(51,3)4/h7-36H,1-6H3
InChIKeyVIMRJPBBARLDQE-UHFFFAOYSA-N
XLogP15.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine with MolForge

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Related Compounds

9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
CID 138462000
9-(9,9-dimethylfluoren-3-yl)-2-N,2-N,4-N,4-N,9-pentakis-phenylfluorene-2,4-diamine
CID 118004667
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenylfluoren-3-amine
CID 167340405
5-[4'-[3,5-bis(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 121361265
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylphenanthrene-1,3-diamine
CID 162490122
N-[4-[3-[4-(N-(9,9-dimethylfluoren-1-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-1-amine;N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-1-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-phenyl-N-[4-[3-phenyl-5-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]fluoren-4-amine
CID 160533887
2'-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-4'-amine
CID 155003548
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-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine (CID 170410184) is 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4c(c3)C(C)(C)c3ccccc3-4)ccc21.
What is the InChIKey of 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine?
The InChIKey is VIMRJPBBARLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-55(2)47-26-16-13-23-42(47)45-33-39(29-31-50(45)55)58(37-19-9-7-10-20-37)41-35-52-54(44-25-15-18-28-49(44)57(52,5)6)53(36-41)59(38-21-11-8-12-22-38)40-30-32-51-46(34-40)43-24-14-17-27-48(43)56(51,3)4/h7-36H,1-6H3.
What are the key properties of 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine?
2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine has a molecular weight of 761.03 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-2-N,4-N-diphenylfluorene-2,4-diamine is sourced from PubChem (CID 170410184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).