9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine

C44H35N — CID 118428412

IUPAC9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccccc5)cc4)ccc2-3)c2ccc3ccccc3c2)c1
InChIInChI=1S/C44H35N/c1-30-10-9-15-37(26-30)45(38-22-20-32-13-7-8-14-35(32)27-38)39-23-25-41-40-24-21-36(28-42(40)44(2,3)43(41)29-39)34-18-16-33(17-19-34)31-11-5-4-6-12-31/h4-29H,1-3H3
InChIKeyGDNUKGZUCWSAOM-UHFFFAOYSA-N
MW577.77 g/mol
LogP12.26
Rot. Bonds5

About 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine (PubChem CID 118428412) has the molecular formula C44H35N and a molecular weight of 577.77 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
PubChem CID118428412
Molecular FormulaC44H35N
Molecular Weight577.77 g/mol
Exact Mass577.28
IUPAC Name9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccccc5)cc4)ccc2-3)c2ccc3ccccc3c2)c1
InChIInChI=1S/C44H35N/c1-30-10-9-15-37(26-30)45(38-22-20-32-13-7-8-14-35(32)27-38)39-23-25-41-40-24-21-36(28-42(40)44(2,3)43(41)29-39)34-18-16-33(17-19-34)31-11-5-4-6-12-31/h4-29H,1-3H3
InChIKeyGDNUKGZUCWSAOM-UHFFFAOYSA-N
XLogP12.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.77
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
9,9-dimethyl-N-(3-methylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-N-(4-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159753254
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298615
9,9-dimethyl-N-(4-methylphenyl)-N-phenylfluoren-2-amine;6-methyl-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-(3-methylphenyl)-N,N-diphenylaniline;4-(4-methylphenyl)-N,N-diphenylaniline;2,9,9-trimethylfluorene;2,9,9-trimethyl-6-phenylfluorene
CID 160965703
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine (CID 118428412) is 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine is Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccccc5)cc4)ccc2-3)c2ccc3ccccc3c2)c1.
What is the InChIKey of 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GDNUKGZUCWSAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N/c1-30-10-9-15-37(26-30)45(38-22-20-32-13-7-8-14-35(32)27-38)39-23-25-41-40-24-21-36(28-42(40)44(2,3)43(41)29-39)34-18-16-33(17-19-34)31-11-5-4-6-12-31/h4-29H,1-3H3.
What are the key properties of 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 577.77 g/mol, XLogP of 12.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-yl-7-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118428412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).