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

C54H39N — CID 169020514

IUPACN-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5ccccc5c4)c3)cccc21
InChIInChI=1S/C54H39N/c1-54(45-22-6-3-7-23-45)51-27-11-10-25-50(51)53-49(26-14-28-52(53)54)44-21-13-24-47(37-44)55(48-34-31-39-17-8-9-18-43(39)36-48)46-32-29-40(30-33-46)42-20-12-19-41(35-42)38-15-4-2-5-16-38/h2-37H,1H3
InChIKeyMKEDKBHHEXRMIK-UHFFFAOYSA-N
MW701.91 g/mol
LogP14.65
Rot. Bonds7

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

N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 169020514) has the molecular formula C54H39N and a molecular weight of 701.91 g/mol. Its IUPAC name is N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID169020514
Molecular FormulaC54H39N
Molecular Weight701.91 g/mol
Exact Mass701.31
IUPAC NameN-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5ccccc5c4)c3)cccc21
InChIInChI=1S/C54H39N/c1-54(45-22-6-3-7-23-45)51-27-11-10-25-50(51)53-49(26-14-28-52(53)54)44-21-13-24-47(37-44)55(48-34-31-39-17-8-9-18-43(39)36-48)46-32-29-40(30-33-46)42-20-12-19-41(35-42)38-15-4-2-5-16-38/h2-37H,1H3
InChIKeyMKEDKBHHEXRMIK-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.91
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 169019619
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019826
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
6-(9-methyl-9-phenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 169019937
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020008
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170216106
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
9-methyl-N-naphthalen-2-yl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020120

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine (CID 169020514) is N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine is CC1(c2ccccc2)c2ccccc2-c2c(-c3cccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc5ccccc5c4)c3)cccc21.
What is the InChIKey of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is MKEDKBHHEXRMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N/c1-54(45-22-6-3-7-23-45)51-27-11-10-25-50(51)53-49(26-14-28-52(53)54)44-21-13-24-47(37-44)55(48-34-31-39-17-8-9-18-43(39)36-48)46-32-29-40(30-33-46)42-20-12-19-41(35-42)38-15-4-2-5-16-38/h2-37H,1H3.
What are the key properties of N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine?
N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 701.91 g/mol, XLogP of 14.65, 7 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-(3-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 169020514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).