1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene

C35H26 — CID 172687248

IUPAC1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene
SMILESC/C=C/c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2cc3ccccc3cc12
InChIInChI=1S/C35H26/c1-2-14-30-31-23-28-21-12-13-22-29(28)24-32(31)34(26-17-8-4-9-18-26)35(27-19-10-5-11-20-27)33(30)25-15-6-3-7-16-25/h2-24H,1H3/b14-2+
InChIKeyBEXMMUCWENUPTE-JLZUIIAYSA-N
MW446.59 g/mol
LogP10.03
Rot. Bonds4

About 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene

1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene (PubChem CID 172687248) has the molecular formula C35H26 and a molecular weight of 446.59 g/mol. Its IUPAC name is 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene.

Molecular Properties

Compound Name1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene
PubChem CID172687248
Molecular FormulaC35H26
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene
SMILESC/C=C/c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2cc3ccccc3cc12
InChIInChI=1S/C35H26/c1-2-14-30-31-23-28-21-12-13-22-29(28)24-32(31)34(26-17-8-4-9-18-26)35(27-19-10-5-11-20-27)33(30)25-15-6-3-7-16-25/h2-24H,1H3/b14-2+
InChIKeyBEXMMUCWENUPTE-JLZUIIAYSA-N
XLogP10.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
15,26-diphenylhexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18,20,22,24-tridecaene
CID 123175805
19,30-diphenylheptacyclo[16.12.0.03,16.04,13.06,11.020,29.022,27]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene
CID 22900026
4-[2,3,4-tris(4-hydroxyphenyl)anthracen-1-yl]phenol
CID 54527880
3,14-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123826742
1,2,3,4-tetrakis(4-propan-2-ylphenyl)anthracene
CID 174880220
7,11,12,13,14,18,29,33,34,35,36,40,51,55,56,57,58,62-octadecakis-phenylnonadecacyclo[44.20.4.42,23.424,45.06,19.08,17.010,15.028,41.030,39.032,37.049,69.050,63.052,61.054,59.064,68.05,77.020,76.027,73.042,72]octaheptaconta-1(67),2(78),3,5(77),6,8,10(15),11,13,16,18,20(76),21,23(75),24(74),25,27(73),28,30,32(37),33,35,38,40,42(72),43,45(71),46(70),47,49(69),50,52,54(59),55,57,60,62,64(68),65-nonatriacontaene
CID 175687169
1-prop-1-enylanthracen-2-ol
CID 88685593
2,4-diphenylanthracene-1,3-diamine
CID 150185829

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene?
The IUPAC name of 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene (CID 172687248) is 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene.
What is the SMILES notation for 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene?
The canonical SMILES for 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene is C/C=C/c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c2cc3ccccc3cc12.
What is the InChIKey of 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene?
The InChIKey is BEXMMUCWENUPTE-JLZUIIAYSA-N. The full InChI is InChI=1S/C35H26/c1-2-14-30-31-23-28-21-12-13-22-29(28)24-32(31)34(26-17-8-4-9-18-26)35(27-19-10-5-11-20-27)33(30)25-15-6-3-7-16-25/h2-24H,1H3/b14-2+.
What are the key properties of 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene?
1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene has a molecular weight of 446.59 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenyl-4-[(E)-prop-1-enyl]anthracene is sourced from PubChem (CID 172687248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).