N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine

C55H43N — CID 167177633

IUPACN-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C55H43N/c1-53(2)42-25-12-10-24-41(42)52-48(53)30-18-32-51(52)56(37-19-6-5-7-20-37)50-31-17-11-21-38(50)36-33-34-47-49(35-36)54(3,4)45-28-15-16-29-46(45)55(47)43-26-13-8-22-39(43)40-23-9-14-27-44(40)55/h5-35H,1-4H3
InChIKeyPIBAMMNUGQGEKZ-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.13
Rot. Bonds4

About N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine

N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine (PubChem CID 167177633) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
PubChem CID167177633
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC NameN-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C55H43N/c1-53(2)42-25-12-10-24-41(42)52-48(53)30-18-32-51(52)56(37-19-6-5-7-20-37)50-31-17-11-21-38(50)36-33-34-47-49(35-36)54(3,4)45-28-15-16-29-46(45)55(47)43-26-13-8-22-39(43)40-23-9-14-27-44(40)55/h5-35H,1-4H3
InChIKeyPIBAMMNUGQGEKZ-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170217548
N-(9,9-dimethylfluoren-4-yl)-2'-(3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258937
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-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267118
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 138631295
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
The IUPAC name of N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine (CID 167177633) is N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine.
What is the SMILES notation for N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
The canonical SMILES for N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3ccccc3N(c3ccccc3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
The InChIKey is PIBAMMNUGQGEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-53(2)42-25-12-10-24-41(42)52-48(53)30-18-32-51(52)56(37-19-6-5-7-20-37)50-31-17-11-21-38(50)36-33-34-47-49(35-36)54(3,4)45-28-15-16-29-46(45)55(47)43-26-13-8-22-39(43)40-23-9-14-27-44(40)55/h5-35H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine?
N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine has a molecular weight of 717.96 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine is sourced from PubChem (CID 167177633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).