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

C63H43N — CID 135271058

IUPACN-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C63H43N/c1-62(45-25-9-4-10-26-45)51-31-15-13-29-48(51)60-55(62)35-19-37-58(60)64(57-40-39-44(42-21-5-2-6-22-42)41-50(57)43-23-7-3-8-24-43)59-38-20-36-56-61(59)49-30-14-18-34-54(49)63(56)52-32-16-11-27-46(52)47-28-12-17-33-53(47)63/h2-41H,1H3
InChIKeyMPSRXOKBYVBGQY-UHFFFAOYSA-N
MW814.04 g/mol
LogP16.17
Rot. Bonds6

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

N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 135271058) has the molecular formula C63H43N and a molecular weight of 814.04 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID135271058
Molecular FormulaC63H43N
Molecular Weight814.04 g/mol
Exact Mass813.34
IUPAC NameN-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C63H43N/c1-62(45-25-9-4-10-26-45)51-31-15-13-29-48(51)60-55(62)35-19-37-58(60)64(57-40-39-44(42-21-5-2-6-22-42)41-50(57)43-23-7-3-8-24-43)59-38-20-36-56-61(59)49-30-14-18-34-54(49)63(56)52-32-16-11-27-46(52)47-28-12-17-33-53(47)63/h2-41H,1H3
InChIKeyMPSRXOKBYVBGQY-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.04
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-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
9-methyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020477
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 135251639
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 121423349
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
9-methyl-N-naphthalen-2-yl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020120
N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine
CID 169293099
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168790005
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 169063045

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine (CID 135271058) is N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is MPSRXOKBYVBGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N/c1-62(45-25-9-4-10-26-45)51-31-15-13-29-48(51)60-55(62)35-19-37-58(60)64(57-40-39-44(42-21-5-2-6-22-42)41-50(57)43-23-7-3-8-24-43)59-38-20-36-56-61(59)49-30-14-18-34-54(49)63(56)52-32-16-11-27-46(52)47-28-12-17-33-53(47)63/h2-41H,1H3.
What are the key properties of N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 814.04 g/mol, XLogP of 16.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 135271058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).