2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine

C44H31N — CID 21042261

IUPAC2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C44H31N/c1-30-21-24-37-36-19-11-12-20-40(36)44(41(37)27-30)42-28-32(31-13-5-2-6-14-31)22-25-38(42)39-26-23-35(29-43(39)44)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34/h2-29H,1H3
InChIKeyDLFHCSKEXLUOKN-UHFFFAOYSA-N
MW573.74 g/mol
LogP11.48
Rot. Bonds4

About 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine

2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 21042261) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID21042261
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C44H31N/c1-30-21-24-37-36-19-11-12-20-40(36)44(41(37)27-30)42-28-32(31-13-5-2-6-14-31)22-25-38(42)39-26-23-35(29-43(39)44)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34/h2-29H,1H3
InChIKeyDLFHCSKEXLUOKN-UHFFFAOYSA-N
XLogP11.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine (CID 21042261) is 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine is Cc1ccc2c(c1)C1(c3ccccc3-2)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is DLFHCSKEXLUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-30-21-24-37-36-19-11-12-20-40(36)44(41(37)27-30)42-28-32(31-13-5-2-6-14-31)22-25-38(42)39-26-23-35(29-43(39)44)45(33-15-7-3-8-16-33)34-17-9-4-10-18-34/h2-29H,1H3.
What are the key properties of 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine?
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 573.74 g/mol, XLogP of 11.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 21042261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).