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7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine

C55H41N — CID 121321506

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2c1cc(-c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C55H41N/c1-55(2)51-36-45(56(44-32-30-41(31-33-44)39-18-8-4-9-19-39)53-25-15-14-22-46(53)42-20-10-5-11-21-42)34-35-49(51)54-48-24-13-12-23-47(48)50(37-52(54)55)43-28-26-40(27-29-43)38-16-6-3-7-17-38/h3-37H,1-2H3
InChIKeyIICOWYCFTJSWPH-UHFFFAOYSA-N
MW715.94 g/mol
LogP15.28
Rot. Bonds7

About 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine

7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine (PubChem CID 121321506) has the molecular formula C55H41N and a molecular weight of 715.94 g/mol. Its IUPAC name is 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
PubChem CID121321506
Molecular FormulaC55H41N
Molecular Weight715.94 g/mol
Exact Mass715.32
IUPAC Name7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2c1cc(-c1ccc(-c3ccccc3)cc1)c1ccccc21
InChIInChI=1S/C55H41N/c1-55(2)51-36-45(56(44-32-30-41(31-33-44)39-18-8-4-9-19-39)53-25-15-14-22-46(53)42-20-10-5-11-21-42)34-35-49(51)54-48-24-13-12-23-47(48)50(37-52(54)55)43-28-26-40(27-29-43)38-16-6-3-7-17-38/h3-37H,1-2H3
InChIKeyIICOWYCFTJSWPH-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.94
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine?
The IUPAC name of 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine (CID 121321506) is 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine.
What is the SMILES notation for 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine?
The canonical SMILES for 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)ccc2-c2c1cc(-c1ccc(-c3ccccc3)cc1)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine?
The InChIKey is IICOWYCFTJSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N/c1-55(2)51-36-45(56(44-32-30-41(31-33-44)39-18-8-4-9-19-39)53-25-15-14-22-46(53)42-20-10-5-11-21-42)34-35-49(51)54-48-24-13-12-23-47(48)50(37-52(54)55)43-28-26-40(27-29-43)38-16-6-3-7-17-38/h3-37H,1-2H3.
What are the key properties of 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine?
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine has a molecular weight of 715.94 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine is sourced from PubChem (CID 121321506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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