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

C70H50N2 — CID 140915496

IUPAC2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc43)cc21
InChIInChI=1S/C70H50N2/c1-69(2)60-31-16-12-28-55(60)57-43-41-52(45-64(57)69)71(50-25-10-5-11-26-50)53-42-44-58-56-29-13-17-32-61(56)70(65(58)46-53)62-33-18-14-30-59(62)68-63(70)34-20-36-67(68)72(51-39-37-48(38-40-51)47-21-6-3-7-22-47)66-35-19-15-27-54(66)49-23-8-4-9-24-49/h3-46H,1-2H3
InChIKeyHAIWNDJFAHJSDK-UHFFFAOYSA-N
MW919.18 g/mol
LogP18.61
Rot. Bonds8

About 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

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 (PubChem CID 140915496) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
PubChem CID140915496
Molecular FormulaC70H50N2
Molecular Weight919.18 g/mol
Exact Mass918.40
IUPAC Name2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc43)cc21
InChIInChI=1S/C70H50N2/c1-69(2)60-31-16-12-28-55(60)57-43-41-52(45-64(57)69)71(50-25-10-5-11-26-50)53-42-44-58-56-29-13-17-32-61(56)70(65(58)46-53)62-33-18-14-30-59(62)68-63(70)34-20-36-67(68)72(51-39-37-48(38-40-51)47-21-6-3-7-22-47)66-35-19-15-27-54(66)49-23-8-4-9-24-49/h3-46H,1-2H3
InChIKeyHAIWNDJFAHJSDK-UHFFFAOYSA-N
XLogP18.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.18
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N-(9,9-dimethylfluoren-2-yl)-4'-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258891
4-N-(9,9-dimethylfluoren-2-yl)-1-N'-(9,9-dimethylfluoren-4-yl)-4-N-phenyl-1-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1',4-diamine
CID 135271139

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cccc43)cc21.
What is the InChIKey of 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?
The InChIKey is HAIWNDJFAHJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2/c1-69(2)60-31-16-12-28-55(60)57-43-41-52(45-64(57)69)71(50-25-10-5-11-26-50)53-42-44-58-56-29-13-17-32-61(56)70(65(58)46-53)62-33-18-14-30-59(62)68-63(70)34-20-36-67(68)72(51-39-37-48(38-40-51)47-21-6-3-7-22-47)66-35-19-15-27-54(66)49-23-8-4-9-24-49/h3-46H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 919.18 g/mol, XLogP of 18.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140915496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).