N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

C65H45N — CID 171453575

IUPACN,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C65H45N/c1-63(42-20-5-3-6-21-42)53-29-14-9-24-46(53)50-38-36-44(40-59(50)63)66(45-37-39-51-47-25-10-15-30-54(47)64(2,60(51)41-45)43-22-7-4-8-23-43)61-35-19-34-58-62(61)52-28-13-18-33-57(52)65(58)55-31-16-11-26-48(55)49-27-12-17-32-56(49)65/h3-41H,1-2H3
InChIKeyURWGTMXSHRDPSB-UHFFFAOYSA-N
MW840.08 g/mol
LogP16.17
Rot. Bonds5

About N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 171453575) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID171453575
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC NameN,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C65H45N/c1-63(42-20-5-3-6-21-42)53-29-14-9-24-46(53)50-38-36-44(40-59(50)63)66(45-37-39-51-47-25-10-15-30-54(47)64(2,60(51)41-45)43-22-7-4-8-23-43)61-35-19-34-58-62(61)52-28-13-18-33-57(52)65(58)55-31-16-11-26-48(55)49-27-12-17-32-56(49)65/h3-41H,1-2H3
InChIKeyURWGTMXSHRDPSB-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
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-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453735
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (CID 171453575) is N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is URWGTMXSHRDPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-63(42-20-5-3-6-21-42)53-29-14-9-24-46(53)50-38-36-44(40-59(50)63)66(45-37-39-51-47-25-10-15-30-54(47)64(2,60(51)41-45)43-22-7-4-8-23-43)61-35-19-34-58-62(61)52-28-13-18-33-57(52)65(58)55-31-16-11-26-48(55)49-27-12-17-32-56(49)65/h3-41H,1-2H3.
What are the key properties of N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 840.08 g/mol, XLogP of 16.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 171453575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).