N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine

C68H47N — CID 121423591

IUPACN-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C68H47N/c1-6-22-48(23-7-1)49-24-20-25-50(44-49)51-26-21-35-56(45-51)69(57-41-43-65-62(46-57)60-37-17-19-39-64(60)67(65,52-27-8-2-9-28-52)53-29-10-3-11-30-53)58-40-42-61-59-36-16-18-38-63(59)68(66(61)47-58,54-31-12-4-13-32-54)55-33-14-5-15-34-55/h1-47H
InChIKeyUQAJKOOMQIABIN-UHFFFAOYSA-N
MW878.13 g/mol
LogP17.22
Rot. Bonds9

About N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine

N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 121423591) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID121423591
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C68H47N/c1-6-22-48(23-7-1)49-24-20-25-50(44-49)51-26-21-35-56(45-51)69(57-41-43-65-62(46-57)60-37-17-19-39-64(60)67(65,52-27-8-2-9-28-52)53-29-10-3-11-30-53)58-40-42-61-59-36-16-18-38-63(59)68(66(61)47-58,54-31-12-4-13-32-54)55-33-14-5-15-34-55/h1-47H
InChIKeyUQAJKOOMQIABIN-UHFFFAOYSA-N
XLogP17.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159940117
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464
N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
CID 167176307
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 121423591) is N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine is c1ccc(-c2cccc(-c3cccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is UQAJKOOMQIABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-6-22-48(23-7-1)49-24-20-25-50(44-49)51-26-21-35-56(45-51)69(57-41-43-65-62(46-57)60-37-17-19-39-64(60)67(65,52-27-8-2-9-28-52)53-29-10-3-11-30-53)58-40-42-61-59-36-16-18-38-63(59)68(66(61)47-58,54-31-12-4-13-32-54)55-33-14-5-15-34-55/h1-47H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine?
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 878.13 g/mol, XLogP of 17.22, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 121423591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).