2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C75H66N2 — CID 154588638

IUPAC2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3ccccc3)ccc2-c2c(N3c4ccccc4C(C)(C)c4ccccc43)cccc21
InChIInChI=1S/C75H66N2/c1-71(2,3)48-35-39-54-55-40-36-49(72(4,5)6)44-64(55)75(63(54)43-48)62-30-22-34-69(77-67-32-20-17-28-60(67)74(9,10)61-29-18-21-33-68(61)77)70(62)56-41-37-51(46-65(56)75)76(66-31-19-15-25-52(66)47-23-12-11-13-24-47)50-38-42-59-57(45-50)53-26-14-16-27-58(53)73(59,7)8/h11-46H,1-10H3
InChIKeyLZDYUXOFWHLTGW-UHFFFAOYSA-N
MW995.37 g/mol
LogP20.18
Rot. Bonds5

About 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 154588638) has the molecular formula C75H66N2 and a molecular weight of 995.37 g/mol. Its IUPAC name is 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID154588638
Molecular FormulaC75H66N2
Molecular Weight995.37 g/mol
Exact Mass994.52
IUPAC Name2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3ccccc3)ccc2-c2c(N3c4ccccc4C(C)(C)c4ccccc43)cccc21
InChIInChI=1S/C75H66N2/c1-71(2,3)48-35-39-54-55-40-36-49(72(4,5)6)44-64(55)75(63(54)43-48)62-30-22-34-69(77-67-32-20-17-28-60(67)74(9,10)61-29-18-21-33-68(61)77)70(62)56-41-37-51(46-65(56)75)76(66-31-19-15-25-52(66)47-23-12-11-13-24-47)50-38-42-59-57(45-50)53-26-14-16-27-58(53)73(59,7)8/h11-46H,1-10H3
InChIKeyLZDYUXOFWHLTGW-UHFFFAOYSA-N
XLogP20.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.37
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-[4-(1,1,1-trideuterio-2-methylpropan-2-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 157470286
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170142627
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 170142560

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 154588638) is 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccccc3-c3ccccc3)ccc2-c2c(N3c4ccccc4C(C)(C)c4ccccc43)cccc21.
What is the InChIKey of 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is LZDYUXOFWHLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H66N2/c1-71(2,3)48-35-39-54-55-40-36-49(72(4,5)6)44-64(55)75(63(54)43-48)62-30-22-34-69(77-67-32-20-17-28-60(67)74(9,10)61-29-18-21-33-68(61)77)70(62)56-41-37-51(46-65(56)75)76(66-31-19-15-25-52(66)47-23-12-11-13-24-47)50-38-42-59-57(45-50)53-26-14-16-27-58(53)73(59,7)8/h11-46H,1-10H3.
What are the key properties of 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 995.37 g/mol, XLogP of 20.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-5-(9,9-dimethylacridin-10-yl)-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 154588638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).