N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine

C51H35N — CID 160501888

IUPACN-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
SMILESCN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C51H35N/c1-52(36-28-30-42-40-22-8-12-24-44(40)50(48(42)32-36,34-16-4-2-5-17-34)35-18-6-3-7-19-35)37-29-31-43-41-23-11-15-27-47(41)51(49(43)33-37)45-25-13-9-20-38(45)39-21-10-14-26-46(39)51/h2-33H,1H3
InChIKeyVIOCILOXMPSCSB-UHFFFAOYSA-N
MW661.85 g/mol
LogP12.16
Rot. Bonds4

About N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 160501888) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID160501888
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
SMILESCN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C51H35N/c1-52(36-28-30-42-40-22-8-12-24-44(40)50(48(42)32-36,34-16-4-2-5-17-34)35-18-6-3-7-19-35)37-29-31-43-41-23-11-15-27-47(41)51(49(43)33-37)45-25-13-9-20-38(45)39-21-10-14-26-46(39)51/h2-33H,1H3
InChIKeyVIOCILOXMPSCSB-UHFFFAOYSA-N
XLogP12.16
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 ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480618
dibenzofuran;ethane;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480603
7-N-methyl-2-N,2-N,7-N,9,9-pentakis-phenylfluorene-2,7-diamine;1-N-methyl-1-N,4-N,4-N-triphenylnaphthalene-1,4-diamine;7-N'-methyl-2-N',2-N',7-N'-triphenyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 160681828
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane
CID 161082547
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298477
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-(9,9-diphenylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 118298184
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine (CID 160501888) is N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine is CN(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VIOCILOXMPSCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-52(36-28-30-42-40-22-8-12-24-44(40)50(48(42)32-36,34-16-4-2-5-17-34)35-18-6-3-7-19-35)37-29-31-43-41-23-11-15-27-47(41)51(49(43)33-37)45-25-13-9-20-38(45)39-21-10-14-26-46(39)51/h2-33H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 661.85 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 160501888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).