9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine

C65H48N2 — CID 176611810

IUPAC9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C65H48N2/c1-65(2)60-27-15-13-26-58(60)59-41-40-55(44-61(59)65)66(52-22-7-4-8-23-52)62-28-16-14-24-56(62)49-31-29-46(30-32-49)47-33-37-53(38-34-47)67(54-39-35-45-17-9-10-21-51(45)43-54)63-42-36-48-18-11-12-25-57(48)64(63)50-19-5-3-6-20-50/h3-44H,1-2H3
InChIKeyQLWHMNMRRRFSAR-UHFFFAOYSA-N
MW857.11 g/mol
LogP18.24
Rot. Bonds9

About 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine

9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine (PubChem CID 176611810) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
PubChem CID176611810
Molecular FormulaC65H48N2
Molecular Weight857.11 g/mol
Exact Mass856.38
IUPAC Name9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5-c5ccccc5)cc4)cc3)cc21
InChIInChI=1S/C65H48N2/c1-65(2)60-27-15-13-26-58(60)59-41-40-55(44-61(59)65)66(52-22-7-4-8-23-52)62-28-16-14-24-56(62)49-31-29-46(30-32-49)47-33-37-53(38-34-47)67(54-39-35-45-17-9-10-21-51(45)43-54)63-42-36-48-18-11-12-25-57(48)64(63)50-19-5-3-6-20-50/h3-44H,1-2H3
InChIKeyQLWHMNMRRRFSAR-UHFFFAOYSA-N
XLogP18.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.11
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,1-N-diphenyl-3-N-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286747
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221488
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 158564793
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine (CID 176611810) is 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5-c5ccccc5)cc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine?
The InChIKey is QLWHMNMRRRFSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-65(2)60-27-15-13-26-58(60)59-41-40-55(44-61(59)65)66(52-22-7-4-8-23-52)62-28-16-14-24-56(62)49-31-29-46(30-32-49)47-33-37-53(38-34-47)67(54-39-35-45-17-9-10-21-51(45)43-54)63-42-36-48-18-11-12-25-57(48)64(63)50-19-5-3-6-20-50/h3-44H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine?
9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine has a molecular weight of 857.11 g/mol, XLogP of 18.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[2-[4-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 176611810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).