N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine

C58H45N — CID 170216761

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)ccc4ccccc34)cc21
InChIInChI=1S/C58H45N/c1-57(2)50-29-14-10-24-44(50)46-36-34-40(37-52(46)57)41-22-12-16-31-53(41)59(56-42-23-9-8-21-39(42)33-35-43(56)38-19-6-5-7-20-38)54-32-17-13-26-47(54)49-28-18-27-48-45-25-11-15-30-51(45)58(3,4)55(48)49/h5-37H,1-4H3
InChIKeyXUQNGTYJZILVRG-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine (PubChem CID 170216761) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
PubChem CID170216761
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)ccc4ccccc34)cc21
InChIInChI=1S/C58H45N/c1-57(2)50-29-14-10-24-44(50)46-36-34-40(37-52(46)57)41-22-12-16-31-53(41)59(56-42-23-9-8-21-39(42)33-35-43(56)38-19-6-5-7-20-38)54-32-17-13-26-47(54)49-28-18-27-48-45-25-11-15-30-51(45)58(3,4)55(48)49/h5-37H,1-4H3
InChIKeyXUQNGTYJZILVRG-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-phenanthren-1-ylphenyl)aniline
CID 170217562
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-1-amine
CID 170215574
2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303468
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 168846186
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
2-(9,9-dimethylfluoren-1-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 170218393
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 139384265

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine (CID 170216761) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine is CC1(C)c2ccccc2-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3C(C)(C)c3ccccc3-4)c3c(-c4ccccc4)ccc4ccccc34)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine?
The InChIKey is XUQNGTYJZILVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)50-29-14-10-24-44(50)46-36-34-40(37-52(46)57)41-22-12-16-31-53(41)59(56-42-23-9-8-21-39(42)33-35-43(56)38-19-6-5-7-20-38)54-32-17-13-26-47(54)49-28-18-27-48-45-25-11-15-30-51(45)58(3,4)55(48)49/h5-37H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylnaphthalen-1-amine is sourced from PubChem (CID 170216761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).