N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine

C71H55N — CID 168802159

IUPACN-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C71H55N/c1-69(2)64-34-19-17-32-60(64)62-47-57(41-43-65(62)69)72(56-39-37-55(38-40-56)71(52-24-8-5-9-25-52,53-26-10-6-11-27-53)54-28-12-7-13-29-54)67-44-36-48-21-14-15-30-58(48)68(67)51-23-20-22-49(45-51)50-35-42-61-59-31-16-18-33-63(59)70(3,4)66(61)46-50/h5-47H,1-4H3
InChIKeyPEAARGGCYAFNLT-UHFFFAOYSA-N
MW922.23 g/mol
LogP18.64
Rot. Bonds9

About N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine

N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine (PubChem CID 168802159) has the molecular formula C71H55N and a molecular weight of 922.23 g/mol. Its IUPAC name is N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
PubChem CID168802159
Molecular FormulaC71H55N
Molecular Weight922.23 g/mol
Exact Mass921.43
IUPAC NameN-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21
InChIInChI=1S/C71H55N/c1-69(2)64-34-19-17-32-60(64)62-47-57(41-43-65(62)69)72(56-39-37-55(38-40-56)71(52-24-8-5-9-25-52,53-26-10-6-11-27-53)54-28-12-7-13-29-54)67-44-36-48-21-14-15-30-58(48)68(67)51-23-20-22-49(45-51)50-35-42-61-59-31-16-18-33-63(59)70(3,4)66(61)46-50/h5-47H,1-4H3
InChIKeyPEAARGGCYAFNLT-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-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802152
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
CID 168802239
N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-2-amine
CID 168802223
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
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
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
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
CID 156558367
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine?
The IUPAC name of N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine (CID 168802159) is N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine.
What is the SMILES notation for N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine?
The canonical SMILES for N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc21.
What is the InChIKey of N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine?
The InChIKey is PEAARGGCYAFNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H55N/c1-69(2)64-34-19-17-32-60(64)62-47-57(41-43-65(62)69)72(56-39-37-55(38-40-56)71(52-24-8-5-9-25-52,53-26-10-6-11-27-53)54-28-12-7-13-29-54)67-44-36-48-21-14-15-30-58(48)68(67)51-23-20-22-49(45-51)50-35-42-61-59-31-16-18-33-63(59)70(3,4)66(61)46-50/h5-47H,1-4H3.
What are the key properties of N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine?
N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-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-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine is sourced from PubChem (CID 168802159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).