N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine

C71H55N — CID 168802223

IUPACN-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C71H55N/c1-69(2)63-37-21-19-34-61(63)67-59(35-22-38-64(67)69)56-31-16-17-33-60(56)68-55-30-15-14-23-48(55)39-46-66(68)72(54-44-45-58-57-32-18-20-36-62(57)70(3,4)65(58)47-54)53-42-40-52(41-43-53)71(49-24-8-5-9-25-49,50-26-10-6-11-27-50)51-28-12-7-13-29-51/h5-47H,1-4H3
InChIKeyXUWRJNJYPYBPRT-UHFFFAOYSA-N
MW922.23 g/mol
LogP18.64
Rot. Bonds9

About N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine

N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine (PubChem CID 168802223) has the molecular formula C71H55N and a molecular weight of 922.23 g/mol. Its IUPAC name is N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine
PubChem CID168802223
Molecular FormulaC71H55N
Molecular Weight922.23 g/mol
Exact Mass921.43
IUPAC NameN-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C71H55N/c1-69(2)63-37-21-19-34-61(63)67-59(35-22-38-64(67)69)56-31-16-17-33-60(56)68-55-30-15-14-23-48(55)39-46-66(68)72(54-44-45-58-57-32-18-20-36-62(57)70(3,4)65(58)47-54)53-42-40-52(41-43-53)71(49-24-8-5-9-25-49,50-26-10-6-11-27-50)51-28-12-7-13-29-51/h5-47H,1-4H3
InChIKeyXUWRJNJYPYBPRT-UHFFFAOYSA-N
XLogP18.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.23
LogP ≤ 518.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
CID 168802159
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
5-tert-butyl-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-2-amine
CID 168802398
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 164774882
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine?
The IUPAC name of N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine (CID 168802223) is N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine?
The canonical SMILES for N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine?
The InChIKey is XUWRJNJYPYBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H55N/c1-69(2)63-37-21-19-34-61(63)67-59(35-22-38-64(67)69)56-31-16-17-33-60(56)68-55-30-15-14-23-48(55)39-46-66(68)72(54-44-45-58-57-32-18-20-36-62(57)70(3,4)65(58)47-54)53-42-40-52(41-43-53)71(49-24-8-5-9-25-49,50-26-10-6-11-27-50)51-28-12-7-13-29-51/h5-47H,1-4H3.
What are the key properties of N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine?
N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine has a molecular weight of 922.23 g/mol, XLogP of 18.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine is sourced from PubChem (CID 168802223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).