N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine

C52H37N — CID 169019826

IUPACN-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5ccccc5c4)c3)cccc21
InChIInChI=1S/C52H37N/c1-52(41-19-3-2-4-20-41)49-26-10-9-23-48(49)51-47(25-13-27-50(51)52)40-18-11-21-43(35-40)53(44-33-28-36-14-5-6-16-39(36)34-44)42-31-29-38(30-32-42)46-24-12-17-37-15-7-8-22-45(37)46/h2-35H,1H3
InChIKeyWXVLSTSSRZROPT-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.13
Rot. Bonds6

About N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine

N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine (PubChem CID 169019826) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
PubChem CID169019826
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5ccccc5c4)c3)cccc21
InChIInChI=1S/C52H37N/c1-52(41-19-3-2-4-20-41)49-26-10-9-23-48(49)51-47(25-13-27-50(51)52)40-18-11-21-43(35-40)53(44-33-28-36-14-5-6-16-39(36)34-44)42-31-29-38(30-32-42)46-24-12-17-37-15-7-8-22-45(37)46/h2-35H,1H3
InChIKeyWXVLSTSSRZROPT-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019619
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169019655
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020514
3-[9-methyl-9-[4-[3-[2-[4-[N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]fluoren-4-yl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170114098
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 171453203
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-5,9-diphenylfluoren-2-amine
CID 167218837
3-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019775

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine (CID 169019826) is N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine is CC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5ccccc5c4)c3)cccc21.
What is the InChIKey of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
The InChIKey is WXVLSTSSRZROPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-52(41-19-3-2-4-20-41)49-26-10-9-23-48(49)51-47(25-13-27-50(51)52)40-18-11-21-43(35-40)53(44-33-28-36-14-5-6-16-39(36)34-44)42-31-29-38(30-32-42)46-24-12-17-37-15-7-8-22-45(37)46/h2-35H,1H3.
What are the key properties of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine?
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine has a molecular weight of 675.88 g/mol, XLogP of 14.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 169019826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).