N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine

C55H39N — CID 170139672

IUPACN-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3ccccc3-c3cccc4ccccc34)cccc21
InChIInChI=1S/C55H39N/c1-55(2)50-21-9-7-19-48(50)54-51(55)22-12-24-53(54)56(52-23-10-8-18-47(52)44-20-11-15-37-13-3-5-16-42(37)44)41-31-27-36(28-32-41)40-26-25-39-30-33-45-43-17-6-4-14-38(43)29-34-46(45)49(39)35-40/h3-35H,1-2H3
InChIKeyDAGWVIPFYMKNTI-UHFFFAOYSA-N
MW713.92 g/mol
LogP15.41
Rot. Bonds5

About N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine

N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine (PubChem CID 170139672) has the molecular formula C55H39N and a molecular weight of 713.92 g/mol. Its IUPAC name is N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
PubChem CID170139672
Molecular FormulaC55H39N
Molecular Weight713.92 g/mol
Exact Mass713.31
IUPAC NameN-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3ccccc3-c3cccc4ccccc34)cccc21
InChIInChI=1S/C55H39N/c1-55(2)50-21-9-7-19-48(50)54-51(55)22-12-24-53(54)56(52-23-10-8-18-47(52)44-20-11-15-37-13-3-5-16-42(37)44)41-31-27-36(28-32-41)40-26-25-39-30-33-45-43-17-6-4-14-38(43)29-34-46(45)49(39)35-40/h3-35H,1-2H3
InChIKeyDAGWVIPFYMKNTI-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-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-1-ylphenyl)phenyl]fluoren-4-amine
CID 169019982
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020471
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
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-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
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 170134747
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 158455101
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine?
The IUPAC name of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine (CID 170139672) is N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5ccc6c7ccccc7ccc6c5c4)cc3)c3ccccc3-c3cccc4ccccc34)cccc21.
What is the InChIKey of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine?
The InChIKey is DAGWVIPFYMKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N/c1-55(2)50-21-9-7-19-48(50)54-51(55)22-12-24-53(54)56(52-23-10-8-18-47(52)44-20-11-15-37-13-3-5-16-42(37)44)41-31-27-36(28-32-41)40-26-25-39-30-33-45-43-17-6-4-14-38(43)29-34-46(45)49(39)35-40/h3-35H,1-2H3.
What are the key properties of N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine?
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-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-3-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 170139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).