2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C78H62N4 — CID 129292300

IUPAC2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4-3)c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc3-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)cc1
InChIInChI=1S/C78H62N4/c1-53-21-31-61(32-22-53)79(58-15-9-6-10-16-58)66-41-45-70-71-46-42-67(80(59-17-11-7-12-18-59)62-33-23-54(2)24-34-62)50-75(71)78(74(70)49-66)76-51-68(81(60-19-13-8-14-20-60)63-35-25-55(3)26-36-63)43-47-72(76)73-48-44-69(52-77(73)78)82(64-37-27-56(4)28-38-64)65-39-29-57(5)30-40-65/h6-52H,1-5H3
InChIKeySRFKOPBCSRGAMI-UHFFFAOYSA-N
MW1055.38 g/mol
LogP21.45
Rot. Bonds12

About 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 129292300) has the molecular formula C78H62N4 and a molecular weight of 1055.38 g/mol. Its IUPAC name is 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID129292300
Molecular FormulaC78H62N4
Molecular Weight1055.38 g/mol
Exact Mass1054.50
IUPAC Name2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4-3)c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc3-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)cc1
InChIInChI=1S/C78H62N4/c1-53-21-31-61(32-22-53)79(58-15-9-6-10-16-58)66-41-45-70-71-46-42-67(80(59-17-11-7-12-18-59)62-33-23-54(2)24-34-62)50-75(71)78(74(70)49-66)76-51-68(81(60-19-13-8-14-20-60)63-35-25-55(3)26-36-63)43-47-72(76)73-48-44-69(52-77(73)78)82(64-37-27-56(4)28-38-64)65-39-29-57(5)30-40-65/h6-52H,1-5H3
InChIKeySRFKOPBCSRGAMI-UHFFFAOYSA-N
XLogP21.45
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.38
LogP ≤ 521.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine with MolForge

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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
9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
CID 139762405
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
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
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
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
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
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
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 130271595

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 129292300) is 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4-3)c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc3-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc32)cc1.
What is the InChIKey of 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is SRFKOPBCSRGAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62N4/c1-53-21-31-61(32-22-53)79(58-15-9-6-10-16-58)66-41-45-70-71-46-42-67(80(59-17-11-7-12-18-59)62-33-23-54(2)24-34-62)50-75(71)78(74(70)49-66)76-51-68(81(60-19-13-8-14-20-60)63-35-25-55(3)26-36-63)43-47-72(76)73-48-44-69(52-77(73)78)82(64-37-27-56(4)28-38-64)65-39-29-57(5)30-40-65/h6-52H,1-5H3.
What are the key properties of 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 1055.38 g/mol, XLogP of 21.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 129292300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).