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

C75H65N — CID 170142627

IUPACN-[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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C75H65N/c1-71(2,3)47-35-39-54-55-40-36-48(72(4,5)6)44-67(55)75(66(54)43-47)63-30-18-12-23-51(63)53-38-34-46(42-65(53)75)50-22-14-19-32-68(50)76(49-37-41-62-59(45-49)52-24-11-16-28-60(52)73(62,7)8)69-33-20-15-25-56(69)57-27-21-31-64-70(57)58-26-13-17-29-61(58)74(64,9)10/h11-45H,1-10H3
InChIKeyBBCMFFAYKIYSLG-UHFFFAOYSA-N
MW980.35 g/mol
LogP20.04
Rot. Bonds5

About 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

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 (PubChem CID 170142627) has the molecular formula C75H65N and a molecular weight of 980.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170142627
Molecular FormulaC75H65N
Molecular Weight980.35 g/mol
Exact Mass979.51
IUPAC NameN-[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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C75H65N/c1-71(2,3)47-35-39-54-55-40-36-48(72(4,5)6)44-67(55)75(66(54)43-47)63-30-18-12-23-51(63)53-38-34-46(42-65(53)75)50-22-14-19-32-68(50)76(49-37-41-62-59(45-49)52-24-11-16-28-60(52)73(62,7)8)69-33-20-15-25-56(69)57-27-21-31-64-70(57)58-26-13-17-29-61(58)74(64,9)10/h11-45H,1-10H3
InChIKeyBBCMFFAYKIYSLG-UHFFFAOYSA-N
XLogP20.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.35
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 170142634
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
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3,4-diphenylaniline
CID 170142171
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
CID 170143737
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 170143467
2',7'-ditert-butyl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 170138315
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170143670
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168789950

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccccc4N(c4ccc5c(c4)-c4ccccc4C5(C)C)c4ccccc4-c4cccc5c4-c4ccccc4C5(C)C)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 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?
The InChIKey is BBCMFFAYKIYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H65N/c1-71(2,3)47-35-39-54-55-40-36-48(72(4,5)6)44-67(55)75(66(54)43-47)63-30-18-12-23-51(63)53-38-34-46(42-65(53)75)50-22-14-19-32-68(50)76(49-37-41-62-59(45-49)52-24-11-16-28-60(52)73(62,7)8)69-33-20-15-25-56(69)57-27-21-31-64-70(57)58-26-13-17-29-61(58)74(64,9)10/h11-45H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 980.35 g/mol, XLogP of 20.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170142627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).