11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine

C57H43N — CID 170538764

IUPAC11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3CCCC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3ccccc23)cc1
InChIInChI=1S/C57H43N/c1-4-17-41(18-5-1)50-27-14-15-30-55(50)58(46-34-31-43(32-35-46)49-29-16-21-40-19-10-12-26-48(40)49)47-36-38-52-53-37-33-42-20-11-13-28-51(42)56(53)57(54(52)39-47,44-22-6-2-7-23-44)45-24-8-3-9-25-45/h1-9,11,13-18,20-25,27-39H,10,12,19,26H2
InChIKeyCHYXKUBSKRAVGL-UHFFFAOYSA-N
MW741.98 g/mol
LogP14.89
Rot. Bonds7

About 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine

11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine (PubChem CID 170538764) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine.

Molecular Properties

Compound Name11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
PubChem CID170538764
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3CCCC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3ccccc23)cc1
InChIInChI=1S/C57H43N/c1-4-17-41(18-5-1)50-27-14-15-30-55(50)58(46-34-31-43(32-35-46)49-29-16-21-40-19-10-12-26-48(40)49)47-36-38-52-53-37-33-42-20-11-13-28-51(42)56(53)57(54(52)39-47,44-22-6-2-7-23-44)45-24-8-3-9-25-45/h1-9,11,13-18,20-25,27-39H,10,12,19,26H2
InChIKeyCHYXKUBSKRAVGL-UHFFFAOYSA-N
XLogP14.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 170538642
11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538670
11,11-dimethyl-N-(1-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538867
11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzo[a]fluoren-9-amine
CID 170538869
2-N'-naphthalen-1-yl-2-N',7-N'-diphenyl-7-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 171470496
9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538821
N-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170538695
N-[2-(1-adamantyl)phenyl]-11,11-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538872
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538669

Frequently Asked Questions

What is the IUPAC name of 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The IUPAC name of 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine (CID 170538764) is 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine.
What is the SMILES notation for 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The canonical SMILES for 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3CCCC4)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3ccccc23)cc1.
What is the InChIKey of 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
The InChIKey is CHYXKUBSKRAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-4-17-41(18-5-1)50-27-14-15-30-55(50)58(46-34-31-43(32-35-46)49-29-16-21-40-19-10-12-26-48(40)49)47-36-38-52-53-37-33-42-20-11-13-28-51(42)56(53)57(54(52)39-47,44-22-6-2-7-23-44)45-24-8-3-9-25-45/h1-9,11,13-18,20-25,27-39H,10,12,19,26H2.
What are the key properties of 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine?
11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine has a molecular weight of 741.98 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine is sourced from PubChem (CID 170538764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).