N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine

C47H39N — CID 155181614

IUPACN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccc3ccccc3c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C47H39N/c1-30-27-33(34-22-21-31-13-6-7-14-32(31)28-34)23-26-43(30)48(35-24-25-37-36-15-8-10-17-39(36)47(4,5)42(37)29-35)44-20-12-19-41-45(44)38-16-9-11-18-40(38)46(41,2)3/h6-29H,1-5H3
InChIKeyVPDJZAJHRIAKJQ-UHFFFAOYSA-N
MW617.84 g/mol
LogP12.90
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 155181614) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
PubChem CID155181614
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCc1cc(-c2ccc3ccccc3c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C47H39N/c1-30-27-33(34-22-21-31-13-6-7-14-32(31)28-34)23-26-43(30)48(35-24-25-37-36-15-8-10-17-39(36)47(4,5)42(37)29-35)44-20-12-19-41-45(44)38-16-9-11-18-40(38)46(41,2)3/h6-29H,1-5H3
InChIKeyVPDJZAJHRIAKJQ-UHFFFAOYSA-N
XLogP12.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 155181682
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 121323170
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 135193278
N-[2,6-bis(2-methylphenyl)-4-naphthalen-2-ylphenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-yl-6-phenylphenyl)fluoren-2-amine
CID 162226630
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 155623488
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine (CID 155181614) is N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine is Cc1cc(-c2ccc3ccccc3c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine?
The InChIKey is VPDJZAJHRIAKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N/c1-30-27-33(34-22-21-31-13-6-7-14-32(31)28-34)23-26-43(30)48(35-24-25-37-36-15-8-10-17-39(36)47(4,5)42(37)29-35)44-20-12-19-41-45(44)38-16-9-11-18-40(38)46(41,2)3/h6-29H,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 617.84 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 155181614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).