N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

C51H35N — CID 164802562

IUPACN-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C51H35N/c1-33-38-16-5-6-17-39(38)40-31-30-37(32-44(33)40)52(36-28-26-35(27-29-36)34-14-3-2-4-15-34)49-25-13-24-48-50(49)43-20-9-12-23-47(43)51(48)45-21-10-7-18-41(45)42-19-8-11-22-46(42)51/h2-33H,1H3
InChIKeyRFQGLKREGJOGRF-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.30
Rot. Bonds4

About N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 164802562) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID164802562
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C51H35N/c1-33-38-16-5-6-17-39(38)40-31-30-37(32-44(33)40)52(36-28-26-35(27-29-36)34-14-3-2-4-15-34)49-25-13-24-48-50(49)43-20-9-12-23-47(43)51(48)45-21-10-7-18-41(45)42-19-8-11-22-46(42)51/h2-33H,1H3
InChIKeyRFQGLKREGJOGRF-UHFFFAOYSA-N
XLogP13.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
CID 118153763
CID 118153763
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
5,5-dimethyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-3-amine
CID 163273052
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 164802562) is N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is CC1c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is RFQGLKREGJOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-33-38-16-5-6-17-39(38)40-31-30-37(32-44(33)40)52(36-28-26-35(27-29-36)34-14-3-2-4-15-34)49-25-13-24-48-50(49)43-20-9-12-23-47(43)51(48)45-21-10-7-18-41(45)42-19-8-11-22-46(42)51/h2-33H,1H3.
What are the key properties of N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 661.85 g/mol, XLogP of 13.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 164802562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).