3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine

C55H42N2 — CID 177286735

IUPAC3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cc5ccccc5cc4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C55H42N2/c1-55(2)53-30-18-17-29-49(53)50-32-31-46(38-54(50)55)57(45-27-13-6-14-28-45)48-34-42(33-47(37-48)56(43-23-9-4-10-24-43)44-25-11-5-12-26-44)52-36-41-22-16-15-21-40(41)35-51(52)39-19-7-3-8-20-39/h3-38H,1-2H3
InChIKeyWHKRHFSMASNMIX-UHFFFAOYSA-N
MW730.96 g/mol
LogP15.42
Rot. Bonds8

About 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine

3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 177286735) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
PubChem CID177286735
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC Name3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cc5ccccc5cc4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C55H42N2/c1-55(2)53-30-18-17-29-49(53)50-32-31-46(38-54(50)55)57(45-27-13-6-14-28-45)48-34-42(33-47(37-48)56(43-23-9-4-10-24-43)44-25-11-5-12-26-44)52-36-41-22-16-15-21-40(41)35-51(52)39-19-7-3-8-20-39/h3-38H,1-2H3
InChIKeyWHKRHFSMASNMIX-UHFFFAOYSA-N
XLogP15.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286692
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832
CID 163410811
CID 163410811
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(8-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286700
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286731
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine (CID 177286735) is 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4cc5ccccc5cc4-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)cc21.
What is the InChIKey of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine?
The InChIKey is WHKRHFSMASNMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)53-30-18-17-29-49(53)50-32-31-46(38-54(50)55)57(45-27-13-6-14-28-45)48-34-42(33-47(37-48)56(43-23-9-4-10-24-43)44-25-11-5-12-26-44)52-36-41-22-16-15-21-40(41)35-51(52)39-19-7-3-8-20-39/h3-38H,1-2H3.
What are the key properties of 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine?
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 730.96 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 177286735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).