ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine

C54H68N2 — CID 91289022

IUPACethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
SMILESCC.CC.CC.CC.Cc1c(C)c(C)c2c(N(c3ccccc3)c3ccccc3)c3c(C)c(C)c(C)c(C)c3c(N(c3ccccc3)c3ccccc3)c2c1C
InChIInChI=1S/C46H44N2.4C2H6/c1-29-30(2)34(6)42-41(33(29)5)45(47(37-21-13-9-14-22-37)38-23-15-10-16-24-38)43-35(7)31(3)32(4)36(8)44(43)46(42)48(39-25-17-11-18-26-39)40-27-19-12-20-28-40;4*1-2/h9-28H,1-8H3;4*1-2H3
InChIKeyDERHFRPEMBHJOS-UHFFFAOYSA-N
MW745.15 g/mol
LogP17.50
Rot. Bonds6

About ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine

ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (PubChem CID 91289022) has the molecular formula C54H68N2 and a molecular weight of 745.15 g/mol. Its IUPAC name is ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.

Molecular Properties

Compound Nameethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
PubChem CID91289022
Molecular FormulaC54H68N2
Molecular Weight745.15 g/mol
Exact Mass744.54
IUPAC Nameethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
SMILESCC.CC.CC.CC.Cc1c(C)c(C)c2c(N(c3ccccc3)c3ccccc3)c3c(C)c(C)c(C)c(C)c3c(N(c3ccccc3)c3ccccc3)c2c1C
InChIInChI=1S/C46H44N2.4C2H6/c1-29-30(2)34(6)42-41(33(29)5)45(47(37-21-13-9-14-22-37)38-23-15-10-16-24-38)43-35(7)31(3)32(4)36(8)44(43)46(42)48(39-25-17-11-18-26-39)40-27-19-12-20-28-40;4*1-2/h9-28H,1-8H3;4*1-2H3
InChIKeyDERHFRPEMBHJOS-UHFFFAOYSA-N
XLogP17.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.15
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 158200575
1,3,4,5,7,8,9,10-octamethyl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
CID 59303959
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N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
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CID 58988982
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2,3,5,6-tetramethyl-1-N,1-N-diphenyl-4-N-[2,3,5,6-tetramethyl-4-(N-(3-methylphenyl)anilino)phenyl]-4-N-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 20720491
2,3,5,6-tetramethyl-N,N-diphenyl-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetramethyl-4-(N-phenylanilino)phenyl]phenyl]aniline
CID 118299311
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
The IUPAC name of ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (CID 91289022) is ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.
What is the SMILES notation for ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
The canonical SMILES for ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine is CC.CC.CC.CC.Cc1c(C)c(C)c2c(N(c3ccccc3)c3ccccc3)c3c(C)c(C)c(C)c(C)c3c(N(c3ccccc3)c3ccccc3)c2c1C.
What is the InChIKey of ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
The InChIKey is DERHFRPEMBHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N2.4C2H6/c1-29-30(2)34(6)42-41(33(29)5)45(47(37-21-13-9-14-22-37)38-23-15-10-16-24-38)43-35(7)31(3)32(4)36(8)44(43)46(42)48(39-25-17-11-18-26-39)40-27-19-12-20-28-40;4*1-2/h9-28H,1-8H3;4*1-2H3.
What are the key properties of ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine?
ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine has a molecular weight of 745.15 g/mol, XLogP of 17.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5,6,7,8-octamethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine is sourced from PubChem (CID 91289022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).