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

C53H43N — CID 155221133

IUPACN-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H43N/c1-36-34-52(37(2)33-49(36)44-25-23-41(24-26-44)39-15-9-6-10-16-39)54(46-31-32-48-47-17-11-12-18-50(47)53(3,4)51(48)35-46)45-29-27-43(28-30-45)42-21-19-40(20-22-42)38-13-7-5-8-14-38/h5-35H,1-4H3
InChIKeyDLYNUTNHCMFEOI-UHFFFAOYSA-N
MW693.93 g/mol
LogP14.75
Rot. Bonds7

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

N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 155221133) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID155221133
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC NameN-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
SMILESCc1cc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H43N/c1-36-34-52(37(2)33-49(36)44-25-23-41(24-26-44)39-15-9-6-10-16-39)54(46-31-32-48-47-17-11-12-18-50(47)53(3,4)51(48)35-46)45-29-27-43(28-30-45)42-21-19-40(20-22-42)38-13-7-5-8-14-38/h5-35H,1-4H3
InChIKeyDLYNUTNHCMFEOI-UHFFFAOYSA-N
XLogP14.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine (CID 155221133) is N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is Cc1cc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)c(C)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is DLYNUTNHCMFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N/c1-36-34-52(37(2)33-49(36)44-25-23-41(24-26-44)39-15-9-6-10-16-39)54(46-31-32-48-47-17-11-12-18-50(47)53(3,4)51(48)35-46)45-29-27-43(28-30-45)42-21-19-40(20-22-42)38-13-7-5-8-14-38/h5-35H,1-4H3.
What are the key properties of N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine?
N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 693.93 g/mol, XLogP of 14.75, 7 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-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155221133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).