2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine

C67H50N2 — CID 137448787

IUPAC2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c3-4)cc21
InChIInChI=1S/C67H50N2/c1-65(2)55-28-15-11-24-48(55)52-37-34-45(40-60(52)65)68(43-20-7-5-8-21-43)46-36-39-54-62(42-46)67(57-30-17-13-26-50(57)51-27-14-18-31-58(51)67)59-32-19-33-63(64(54)59)69(44-22-9-6-10-23-44)47-35-38-53-49-25-12-16-29-56(49)66(3,4)61(53)41-47/h5-42H,1-4H3
InChIKeyGECKDFUMHZFJNX-UHFFFAOYSA-N
MW883.15 g/mol
LogP17.58
Rot. Bonds6

About 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine

2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine (PubChem CID 137448787) has the molecular formula C67H50N2 and a molecular weight of 883.15 g/mol. Its IUPAC name is 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
PubChem CID137448787
Molecular FormulaC67H50N2
Molecular Weight883.15 g/mol
Exact Mass882.40
IUPAC Name2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c3-4)cc21
InChIInChI=1S/C67H50N2/c1-65(2)55-28-15-11-24-48(55)52-37-34-45(40-60(52)65)68(43-20-7-5-8-21-43)46-36-39-54-62(42-46)67(57-30-17-13-26-50(57)51-27-14-18-31-58(51)67)59-32-19-33-63(64(54)59)69(44-22-9-6-10-23-44)47-35-38-53-49-25-12-16-29-56(49)66(3,4)61(53)41-47/h5-42H,1-4H3
InChIKeyGECKDFUMHZFJNX-UHFFFAOYSA-N
XLogP17.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.15
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
CID 158813700
CID 158813700
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine?
The IUPAC name of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine (CID 137448787) is 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c3-4)cc21.
What is the InChIKey of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine?
The InChIKey is GECKDFUMHZFJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50N2/c1-65(2)55-28-15-11-24-48(55)52-37-34-45(40-60(52)65)68(43-20-7-5-8-21-43)46-36-39-54-62(42-46)67(57-30-17-13-26-50(57)51-27-14-18-31-58(51)67)59-32-19-33-63(64(54)59)69(44-22-9-6-10-23-44)47-35-38-53-49-25-12-16-29-56(49)66(3,4)61(53)41-47/h5-42H,1-4H3.
What are the key properties of 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine?
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine has a molecular weight of 883.15 g/mol, XLogP of 17.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine is sourced from PubChem (CID 137448787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).