N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C47H39N — CID 155220845

IUPACN-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)cc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C47H39N/c1-32-30-46(33(2)29-43(32)40-20-12-11-19-39(40)36-17-9-6-10-18-36)48(37-25-23-35(24-26-37)34-15-7-5-8-16-34)38-27-28-42-41-21-13-14-22-44(41)47(3,4)45(42)31-38/h5-31H,1-4H3
InChIKeyFNMQSKUQWKNJDC-UHFFFAOYSA-N
MW617.84 g/mol
LogP13.08
Rot. Bonds6

About N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 155220845) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID155220845
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC NameN-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)cc1-c1ccccc1-c1ccccc1
InChIInChI=1S/C47H39N/c1-32-30-46(33(2)29-43(32)40-20-12-11-19-39(40)36-17-9-6-10-18-36)48(37-25-23-35(24-26-37)34-15-7-5-8-16-34)38-27-28-42-41-21-13-14-22-44(41)47(3,4)45(42)31-38/h5-31H,1-4H3
InChIKeyFNMQSKUQWKNJDC-UHFFFAOYSA-N
XLogP13.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221133
N-[2,6-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221215
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 158351928
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 155220845) is N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)cc1-c1ccccc1-c1ccccc1.
What is the InChIKey of N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is FNMQSKUQWKNJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N/c1-32-30-46(33(2)29-43(32)40-20-12-11-19-39(40)36-17-9-6-10-18-36)48(37-25-23-35(24-26-37)34-15-7-5-8-16-34)38-27-28-42-41-21-13-14-22-44(41)47(3,4)45(42)31-38/h5-31H,1-4H3.
What are the key properties of N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 617.84 g/mol, XLogP of 13.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-(2-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155220845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).