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

C65H47N — CID 146247477

IUPACN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc21
InChIInChI=1S/C65H47N/c1-63(2)54-30-14-12-27-51(54)52-42-41-49(43-61(52)63)66(47-25-10-5-11-26-47)48-39-37-44(38-40-48)50-29-20-36-60-62(50)53-28-13-15-31-55(53)65(60)58-34-18-16-32-56(58)64(45-21-6-3-7-22-45,46-23-8-4-9-24-46)57-33-17-19-35-59(57)65/h3-43H,1-2H3
InChIKeyQZSIQSWNPZOCBL-UHFFFAOYSA-N
MW842.10 g/mol
LogP16.19
Rot. Bonds6

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

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 146247477) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID146247477
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc21
InChIInChI=1S/C65H47N/c1-63(2)54-30-14-12-27-51(54)52-42-41-49(43-61(52)63)66(47-25-10-5-11-26-47)48-39-37-44(38-40-48)50-29-20-36-60-62(50)53-28-13-15-31-55(53)65(60)58-34-18-16-32-56(58)64(45-21-6-3-7-22-45,46-23-8-4-9-24-46)57-33-17-19-35-59(57)65/h3-43H,1-2H3
InChIKeyQZSIQSWNPZOCBL-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 122607124
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N-[4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161068625
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
5-[4'-[3,5-bis(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 121361265

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 146247477) is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc21.
What is the InChIKey of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is QZSIQSWNPZOCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-63(2)54-30-14-12-27-51(54)52-42-41-49(43-61(52)63)66(47-25-10-5-11-26-47)48-39-37-44(38-40-48)50-29-20-36-60-62(50)53-28-13-15-31-55(53)65(60)58-34-18-16-32-56(58)64(45-21-6-3-7-22-45,46-23-8-4-9-24-46)57-33-17-19-35-59(57)65/h3-43H,1-2H3.
What are the key properties of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 842.10 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 146247477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).