N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine

C51H37N — CID 170139095

IUPACN-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C51H37N/c1-51(2)48-22-12-10-21-44(48)47-32-38(29-31-49(47)51)52(50-23-13-11-18-40(50)34-14-4-3-5-15-34)37-27-24-36(25-28-37)45-33-46-39-17-7-6-16-35(39)26-30-43(46)41-19-8-9-20-42(41)45/h3-33H,1-2H3
InChIKeyJACMIRYNAQMZNT-UHFFFAOYSA-N
MW663.86 g/mol
LogP14.26
Rot. Bonds5

About N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine

N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine (PubChem CID 170139095) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
PubChem CID170139095
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC NameN-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C51H37N/c1-51(2)48-22-12-10-21-44(48)47-32-38(29-31-49(47)51)52(50-23-13-11-18-40(50)34-14-4-3-5-15-34)37-27-24-36(25-28-37)45-33-46-39-17-7-6-16-35(39)26-30-43(46)41-19-8-9-20-42(41)45/h3-33H,1-2H3
InChIKeyJACMIRYNAQMZNT-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 514.26
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-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170139066
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 170675902
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 170139092
N-(4-benzo[c]phenanthren-5-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167182689
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-3-amine
CID 177100674
N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-2-ylphenyl)chrysen-6-amine
CID 170139071
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170139772
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158155243
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 170116614

Frequently Asked Questions

What is the IUPAC name of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine (CID 170139095) is N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cc5c6ccccc6ccc5c5ccccc45)cc3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
The InChIKey is JACMIRYNAQMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-51(2)48-22-12-10-21-44(48)47-32-38(29-31-49(47)51)52(50-23-13-11-18-40(50)34-14-4-3-5-15-34)37-27-24-36(25-28-37)45-33-46-39-17-7-6-16-35(39)26-30-43(46)41-19-8-9-20-42(41)45/h3-33H,1-2H3.
What are the key properties of N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine?
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine has a molecular weight of 663.86 g/mol, XLogP of 14.26, 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-(2-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 170139095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).