azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane

C52H41N — CID 144663155

IUPACazane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
SMILESCC.N.c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)c3ccccc23)cc1
InChIInChI=1S/C50H32.C2H6.H3N/c1-4-17-33(18-5-1)46-40-24-11-14-27-43(40)49(44-28-15-12-25-41(44)46)37-29-16-30-38-36(37)31-32-45-47(34-19-6-2-7-20-34)39-23-10-13-26-42(39)48(50(38)45)35-21-8-3-9-22-35;1-2;/h1-32H;1-2H3;1H3
InChIKeyQPPAQMLMCIUADD-UHFFFAOYSA-N
MW679.91 g/mol
LogP15.31
Rot. Bonds4

About azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane

azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane (PubChem CID 144663155) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane.

Molecular Properties

Compound Nameazane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
PubChem CID144663155
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC Nameazane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane
SMILESCC.N.c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)c3ccccc23)cc1
InChIInChI=1S/C50H32.C2H6.H3N/c1-4-17-33(18-5-1)46-40-24-11-14-27-43(40)49(44-28-15-12-25-41(44)46)37-29-16-30-38-36(37)31-32-45-47(34-19-6-2-7-20-34)39-23-10-13-26-42(39)48(50(38)45)35-21-8-3-9-22-35;1-2;/h1-32H;1-2H3;1H3
InChIKeyQPPAQMLMCIUADD-UHFFFAOYSA-N
XLogP15.31
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 515.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
CID 58535980
2-[4-(7,12-diphenylbenzo[a]anthracen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58233285
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
9-(2-phenylphenyl)-20-(4-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 59642746
7,12-diphenyl-3-(10-phenylanthracen-9-yl)benzo[k]fluoranthene
CID 58988922
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
14-(4,12-diphenylbenzo[a]anthracen-7-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 171045477
19-phenyl-8-(4-phenylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642391
7-naphthalen-1-yl-12-(4-phenylnaphthalen-1-yl)benzo[a]anthracene
CID 154011898
12-(12-phenylbenzo[a]anthracen-7-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 171046066
4-(9,10-diphenylanthracen-1-yl)phenol
CID 150494593
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553

Frequently Asked Questions

What is the IUPAC name of azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane?
The IUPAC name of azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane (CID 144663155) is azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane.
What is the SMILES notation for azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane?
The canonical SMILES for azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane is CC.N.c1ccc(-c2c3ccccc3c(-c3cccc4c3ccc3c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c34)c3ccccc23)cc1.
What is the InChIKey of azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane?
The InChIKey is QPPAQMLMCIUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C2H6.H3N/c1-4-17-33(18-5-1)46-40-24-11-14-27-43(40)49(44-28-15-12-25-41(44)46)37-29-16-30-38-36(37)31-32-45-47(34-19-6-2-7-20-34)39-23-10-13-26-42(39)48(50(38)45)35-21-8-3-9-22-35;1-2;/h1-32H;1-2H3;1H3.
What are the key properties of azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane?
azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane has a molecular weight of 679.91 g/mol, XLogP of 15.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7,12-diphenyl-4-(10-phenylanthracen-9-yl)benzo[a]anthracene;ethane is sourced from PubChem (CID 144663155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).