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

C51H35N — CID 135251639

IUPACN-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C51H35N/c1-50(34-18-4-2-5-19-34)40-26-12-10-24-38(40)48-44(50)30-16-32-46(48)52(35-20-6-3-7-21-35)47-33-17-31-45-49(47)39-25-11-15-29-43(39)51(45)41-27-13-8-22-36(41)37-23-9-14-28-42(37)51/h2-33H,1H3
InChIKeyMBURTPHOUBEMMO-UHFFFAOYSA-N
MW661.85 g/mol
LogP12.83
Rot. Bonds4

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

N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 135251639) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
PubChem CID135251639
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C51H35N/c1-50(34-18-4-2-5-19-34)40-26-12-10-24-38(40)48-44(50)30-16-32-46(48)52(35-20-6-3-7-21-35)47-33-17-31-45-49(47)39-25-11-15-29-43(39)51(45)41-27-13-8-22-36(41)37-23-9-14-28-42(37)51/h2-33H,1H3
InChIKeyMBURTPHOUBEMMO-UHFFFAOYSA-N
XLogP12.83
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 ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-(9-methyl-9-phenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453030
N-[3-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-4-amine
CID 169293099
N-(2,4-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 135271058
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179
9-methyl-N,9-diphenyl-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine
CID 138568391
N-(9-methyl-9-phenylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308581
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
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)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193

Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine (CID 135251639) is N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is MBURTPHOUBEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-50(34-18-4-2-5-19-34)40-26-12-10-24-38(40)48-44(50)30-16-32-46(48)52(35-20-6-3-7-21-35)47-33-17-31-45-49(47)39-25-11-15-29-43(39)51(45)41-27-13-8-22-36(41)37-23-9-14-28-42(37)51/h2-33H,1H3.
What are the key properties of N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine?
N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 661.85 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-phenylfluoren-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 135251639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).