N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine

C55H39N — CID 170139291

IUPACN-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)cccc21
InChIInChI=1S/C55H39N/c1-55(2)51-22-10-9-20-48(51)54-52(55)23-12-24-53(54)56(40-30-25-38(26-31-40)43-21-11-15-36-13-3-5-16-42(36)43)41-32-27-39(28-33-41)49-35-50-44-17-6-4-14-37(44)29-34-47(50)45-18-7-8-19-46(45)49/h3-35H,1-2H3
InChIKeyLMDQIBNIZOMCHT-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine

N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine (PubChem CID 170139291) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
PubChem CID170139291
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)cccc21
InChIInChI=1S/C55H39N/c1-55(2)51-22-10-9-20-48(51)54-52(55)23-12-24-53(54)56(40-30-25-38(26-31-40)43-21-11-15-36-13-3-5-16-42(36)43)41-32-27-39(28-33-41)49-35-50-44-17-6-4-14-37(44)29-34-47(50)45-18-7-8-19-46(45)49/h3-35H,1-2H3
InChIKeyLMDQIBNIZOMCHT-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139672
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170117447
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020491
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-(4-phenanthren-9-ylphenyl)benzo[a]fluoren-6-amine
CID 164929229
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-9-amine
CID 170044310

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine (CID 170139291) is N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)cccc21.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
The InChIKey is LMDQIBNIZOMCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)51-22-10-9-20-48(51)54-52(55)23-12-24-53(54)56(40-30-25-38(26-31-40)43-21-11-15-36-13-3-5-16-42(36)43)41-32-27-39(28-33-41)49-35-50-44-17-6-4-14-37(44)29-34-47(50)45-18-7-8-19-46(45)49/h3-35H,1-2H3.
What are the key properties of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine?
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine has a molecular weight of 713.92 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 170139291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).