2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine

C51H37N — CID 146541622

IUPAC2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C51H37N/c1-34-20-30-43-44-31-21-35(2)33-48(44)51(47(43)32-34)46-18-10-9-16-42(46)45-17-11-19-49(50(45)51)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37/h3-33H,1-2H3
InChIKeyRFCPRBUOUUHGEY-UHFFFAOYSA-N
MW663.86 g/mol
LogP13.45
Rot. Bonds5

About 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine

2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 146541622) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound Name2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID146541622
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC Name2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C51H37N/c1-34-20-30-43-44-31-21-35(2)33-48(44)51(47(43)32-34)46-18-10-9-16-42(46)45-17-11-19-49(50(45)51)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37/h3-33H,1-2H3
InChIKeyRFCPRBUOUUHGEY-UHFFFAOYSA-N
XLogP13.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-methylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 154409809
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
7'-methyl-2'-methyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 123227044
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine (CID 146541622) is 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is RFCPRBUOUUHGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-34-20-30-43-44-31-21-35(2)33-48(44)51(47(43)32-34)46-18-10-9-16-42(46)45-17-11-19-49(50(45)51)52(40-26-22-38(23-27-40)36-12-5-3-6-13-36)41-28-24-39(25-29-41)37-14-7-4-8-15-37/h3-33H,1-2H3.
What are the key properties of 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine?
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 663.86 g/mol, XLogP of 13.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 146541622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).